Supplementary Information. Figure S1. 1 H NMR (600 MHz, CDCl 3 ) of 1.
|
|
|
- Amelia Stevenson
- 5 years ago
- Views:
Transcription
1 Supplementary Information Figure S1. 1 H NMR (600 MHz, CDCl 3 ) of 1.
2 Mar. Drugs 2014, 12 2 Figure S2. 13 C NMR (125 MHz, CDCl 3 ) of 1.
3 Mar. Drugs 2014, 12 3 Figure S3. gcosy (600 MHz, CDCl 3 ) of 1.
4 Mar. Drugs 2014, 12 4 Figure S4. ghsqc (600 MHz, CDCl 3 ) of 1.
5 Mar. Drugs 2014, 12 5 Figure S5. ghmbc (600 MHz, CDCl 3 ) of 1.
6 Mar. Drugs 2014, 12 6 Figure S6. 13 C NMR (125 MHz, CDCl 3 ) of 13 C-labeled 1.
7 Mar. Drugs 2014, 12 7 Figure S7. 13 C- 13 C COSY (125 MHz, CDCl 3 ) of 13 C-labeled 1.
8 Mar. Drugs 2014, 12 8 Figure S8. HRMS of 1.
9 Mar. Drugs 2014, 12 9 Figure S9. 1 H NMR (600 MHz, CDCl 3 ) of 2.
10 Mar. Drugs 2014, Figure S C NMR (125 MHz, CDCl 3 ) of 2.
11 Mar. Drugs 2014, Figure S11. gcosy (600 MHz, CDCl 3 ) of 2.
12 Mar. Drugs 2014, Figure S12. ghsqc (600 MHz, CDCl 3 ) of 2.
13 Mar. Drugs 2014, Figure S13. ghmbc (600 MHz, CDCl 3 ) of 2.
14 Mar. Drugs 2014, Figure S C NMR (125 MHz, CDCl 3 ) of 13 C-labeled 2.
15 Mar. Drugs 2014, Figure S C- 13 C COSY (125 MHz, CDCl 3 ) of 13 C-labeled 2.
16 Mar. Drugs 2014, Figure S16. HRMS of 2.
17 Mar. Drugs 2014, Figure S C- 13 C gcosy calculations During t 1, each new fid increments t 1 by a dwell time of dw1 (always true for each complex sw1 pair of FIDs, independent of type of acquisition, such as States or TPPI, etc.). For a 13 C 13 C cosy, sw = sw1 220ppm, which = 125Hz/ppm 220ppm = 27.5kHz. Thus, dw1 = 1/27.5kHz = 36.4 s. 2. For J CC ranging 30 to 60 Hz, maximum polarization transfer (largest crosspeak formation) will occur at 1/2J = 33 to 17 ms, respectively. 3. For an absolute-value cosy, where a sinebell or sinebell-squared apodization is applied, maximum crosspeaks (100% of the size of the 1 H 1D peak) will occur with a total acquisition time in the indirect dimension, at1 = 1/J, because sinebell-type functions are maximum at ½ the FID. So for maximum crosspeaks, the t 1 evolution would be at at1 = 66 to 33 ms, for J CC = 30 to 60 Hz. 4. The total acquisition time in the indirect dimension equals the number of increments times at1 sw1 the time per increment, or: at1 = ni dw1 Thus: ni TD1 = 917 to 458. dw1 Even smaller values (e.g., 256) can be used without much loss in sensitivity, since the crosspeaks intensities will follow something close to sinusoidal behavior close to Resolution: If ni TD1 = 400, then sw1/ni = 27500/400 = 69 Hz = MHz. J CC
18 Mar. Drugs 2014, Figure S C- 13 C COSY pulse program (Bruker). ;cosygpqf - modified to have proton decoupling 2June2010 ;avance-version (07/04/05) ;2D homonuclear shift correlation ;using gradient pulses for selection ; ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include <Avance.incl> #include <Grad.incl> "d13=4u" "d11=30m" "in0=inf1" "d0=3u" 1 ze d11 pl12:f2 2 30m do:f2 d1 cpd2:f2 3 p1 ph1 d0 50u UNBLKGRAD p16:gp1 d16 p0 ph2 p16:gp1 d16 4u BLKGRAD go=2 ph31 30m do:f2 pl12:f2 mc #0 to 2 F1QF(id0) exit ph1=0 2 ph2= ph31=0 2 ;pl1 : f1 channel - power level for pulse (default) ;p0 : f1 channel - 20 to 90 degree high power pulse ;p1 : f1 channel - 90 degree high power pulse ;p16: homospoil/gradient pulse ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d13: short delay [4 usec] ;d16: delay for homospoil/gradient recovery ;inf1: 1/SW = 2 * DW ;in0: 1/(1 * SW) = 2 * DW ;nd0: 1 ;NS: 1 * n ;DS: 16 ;td1: number of experiments ;FnMODE: QF ;use gradient ratio: gp 1 ; 10 ;for z-only gradients: ;gpz1: 10% ;use gradient files: ;gpnam1: SINE.100 ;$Id: cosygpqf,v /04/11 13:34:29 ber Exp $
19 Mar. Drugs 2014, Figure S C- 13 C COSY for Varian. To set up a 13 C- 13 C gcosy on a Varian spectrometer with VNMR software, complete the following steps: 1. Set up (and acquire) a 1D 13 C spectrum with the desired parameters (sweep width, etc.) for your particular compound. 2. In the same experiment, set up a gcosy (type gcosy) 3. Your transmitter nucleus (tn) should be C13, and decoupler nucleus (dn) should be H1. 4. Type dm = nny Set number of transients and increments (nt, ni) as necessary for your compound To set up a 13 C- 13 C gcosy on a Varian spectrometer with VNMRJ software, complete the following steps: 1. Set up (and acquire) a 1D 13 C spectrum with the desired parameters (sweep width, etc.) for your particular compound. 2. In a different experiment, set up a gcosy (type Gcosy) 3. Change transmitter nucleus (tn) to C13, and decoupler nucleus (dn) should be H1. 4. Type dm = nny 5. Change sweep width (sw) and sw1 to sweep width from 1D 13 C spectrum. 6. Set number of transients and increments (nt, ni) as necessary for your compound. Set remaining parameters as the following:
20 Mar. Drugs 2014, Figure S20. (A) List of 13 C- 13 C correlations for 1 and 2 and (B) 13 C- 13 C COSY (125 MHz, CDCl 3 ) of 2 (aromatic region). (A) (B) 1 2 C1-C2 C1-C2 C2-C3 C2-C3 C3-C4 * C3-C4 C8-C9 C8-C9 C9-C10 C9-C10 *** C11-C12 C11-C12 C12-C13 C12-C13 C12-C14 C12-C14 C14-C15 C14-C15 C15-C16 ** C16-C17 **** C16-C17 ** C17-C18 C17-C18 * Weak correlation. Confirmed by additional NMR data. ** C15 and C17 overlap. Additional NMR confirmed connectivity. *** C10 and C16 had similar chemical shifts. Additional NMR confirmed connectivity. **** Signal partially overlapped. Additional NMR confirmed connectivity.
21 Mar. Drugs 2014, Figure S21. (A) 13 C- 13 C COSY (125 MHz, CDCl 3 ) and (B) 1 H NMR (500 MHz, CDCl 3 ) of 13 C-labeled extract from CHCl 3 partition. (A) (B)
22 Mar. Drugs 2014, Figure S22. 1 H NMR (600 MHz, CDCl 3 ) of 3.
23 Mar. Drugs 2014, Figure S C NMR (125 MHz, CDCl 3 ) of 3.
24 Mar. Drugs 2014, Figure S24. HRMS of by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (
Laura Castañar, 2 Manuela Garcia, 1 Erich Hellemann, 1 Pau Nolis 2 Roberto R. Gil, 1, * and Teodor Parella 2, *
One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters. Laura Castañar, 2 Manuela Garcia, 1 Erich Hellemann,
NMR NEWS June To find tutorials, links and more, visit our website
Department of Chemistry NMR Facilities Director: Dr. Carlos A. Steren NMR NEWS June 2014 To find tutorials, links and more, visit our website www.chem.utk.edu/facilities/nmr Computers and software updates
Chemistry Department
Chemistry Department NMR/Instrumentation Facility Users Guide - VNMRJ Prepared by Leila Maurmann The following procedures should be used to acquire one-dimensional proton and carbon NMR data on the 400MHz
Homonuclear Broadband Decoupling via PSYCHE Element Benjamin Görling, Aitor Moreno, Wolfgang Bermel
Homonuclear Broadband Decoupling via PSYCHE Element Benjamin Görling, Aitor Moreno, Wolfgang Bermel Bruker BioSpin GmbH Homonuclear broadband decoupling of proton spectra is a challenging task since standard
Once again, a good way to keep track of these is to fill out the table below: Nucleus power pw90 spectral width offset
A. F. Miller 2010 C HMBC (CIGAR) H-C multiple-bond correlations: HMBC The HSQC is a high sensitivity way to observe Cs that have an attached H, get the chemical shifts of each, and know which Hs are attached
Ultra-high Resolution in Low Field Tabletop NMR Spectrometers
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2017 Supporting Information Ultra-high Resolution in Low Field Tabletop NMR Spectrometers Experimental
Schematic of the COSY Experiment
Schematic of the COSY Experiment 9 o 9 o (d) t 2 (aq) homonuclear COSY But what happens for a heteronuclear experiment? The 9 o pulses will not cover both sets of nuclei, and there would be issues with
NMR TRAINING. What to Cover
NMR TRAINING MULTI-DIMENSIONAL EXPERIMENTS What to Cover Introducing a second dimension COSY, NOESY, TOCSY, SQC, MBC D Processing Proton T1/T measurement, Diffusion measurement Spectrometer Preparation
H-C one-bond correlations: HSQC Preliminaries.
A. F. Miller 2010 C HSQC H-C one-bond correlations: HSQC Preliminaries. For both 1 H and C, you need a good power pw90 pair and you should have good values for both sw and tof for both nuclei. In short,
SSSC Discovery Series NMR2 Multidimensional NMR Spectroscopy
SSSC Discovery Series NMR2 Multidimensional NMR Spectroscopy Topics: 1. Some Common Experiments 2. Anatomy of a 2D experiment 3. 3D NMR spectroscopy no quantum mechanics! Some Common 2D Experiments Very
Homonuclear 2DJ spectroscopy - HOMO2DJ
Homonuclear 2DJ spectroscop - HOMO2DJ All 2D eperiments we ve analzed so far are used to find out correlations or connections between spin sstems. There are man other things that we can etract from 2D
Cungen Zhang. NOESY experiment. noesy 90. at, t2. mix
NOESY experiment 90 noesy 90 90 Cungen Zhang at, t2 d1 t1 mix Nuclear Overhauser Effect SpectroscopY is a 2D spectroscopy method whose aim is to identify spins undergoing cross-relaxation and to measure
Collecting the data. A.- F. Miller 2012 DQF- COSY Demo 1
A.- F. Miller 2012 DQF- COSY Demo 1 gradient Double-Quantum-Filtered COSY (gdqf-cosy) This spectrum produces cross peaks exclusively between 1 Hs that are connected through bonds, usually 3 or less. (Exceptions
Supplementary Material
Supplementary Material 4D APSY-HBCB(CG)CDHD experiment for automated assignment of aromatic amino acid side chains in proteins Barbara Krähenbühl 1 Sebastian Hiller 2 Gerhard Wider 1 1 Institute of Molecular
BASIC NMR HANDBOOK Written by M. A. Eastman Copyright 1997, 2001, 2013, 2015, 2018
BASIC NMR HANDBOOK Written by M. A. Eastman Copyright 1997, 2001, 2013, 2015, 2018 Basic NMR Handbook Table of Contents: Preface ii viii PART 1 Chapter 1: Introduction to NMR 1 Why Study NMR? 1 The Magnetic
NMR course at the FMP: Practical aspects
NMR course at the FMP: Practical aspects 04.05.2009 The program 2/68 The dynamic range Solvent supression Quadrature detection Folding/Aliasing Phasing in the indirect dimensions 3/68 The dynamic range
Band-Selective Homonuclear 2D Correlation Experiments
Band-Selective Homonuclear 2D Correlation Experiments Application Note Authors Péter Sándor Agilent Technologies GmbH D76337 Waldbronn Germany Abstract This application note demonstrates the utility of
How to perform 2D NMR Experiments on the Varian/Agilent VNMRS 500 when using the Chempack interface
How to perform 2D NMR Experiments on the Varian/Agilent VNMRS 500 when using the Chempack interface 1 June 3, 2014 To start: 1. Insert your sample 2. If running any 2D spectrum or even just a 1D 13 C spectrum
Determining C-H Connectivity: ghmqc and ghmbc (VnmrJ-2.2D Version: For use with the new Software)
Determining C-H Connectivity: ghmqc and ghmbc (VnmrJ-2.2D Version: For use with the new Software) Heteronuclear Multiple Quantum Coherence (HMQC) and Heteronuclear Multiple Bond Coherence (HMBC) are 2-dimensional
Operation of the Bruker 400 JB Stothers NMR Facility Department of Chemistry Western University
Operation of the Bruker 400 JB Stothers NMR Facility Department of Chemistry Western University 1. INTRODUCTION...3 1.1. Overview of the Bruker 400 NMR Spectrometer...3 1.2. Overview of Software... 3 1.2.1.
Total Synthesis of ( )-Cryptocaryol A
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2015 Total Synthesis of ( )-Cryptocaryol A Luiz C. Dias,* Paula K. Kuroishi,
Organic Glass-Forming Materials: 1,3,5-Tris(naphthyl)benzene Derivatives
Supporting Information Organic Glass-Forming Materials: 1,3,5-Tris(naphthyl)benzene Derivatives Paul A. Bonvallet, Caroline J. Breitkreuz, Yong Seol Kim, Eric M. Todd, Katherine Traynor, Charles G. Fry,
MEASURING DIFFUSION BY NMR. Bruker Instruments Inc. Sophie Kazanis Application Scientist August 2000
1 MEASURING DIFFUSION BY NMR Bruker Instruments Inc. Sophie Kazanis Application Scientist August 2000 2 Table of Contents Chapter 1 Section 1.1 Section 1.2 Section 1.3 Chapter 2 Chapter 3 Section 3.1 Section
North Carolina State University Department of Chemistry Varian NMR Training Manual
North Carolina State University Department of Chemistry Varian NMR Training Manual by J.B. Clark IV & Dr. S. Sankar 1 st Edition 05/15/2009 Section 3: Glide Program Operations for Advanced 1D & 2D Spectra
Chem 203 December 15, Final Exam Part I (40 points) THIS FINAL EXAM CONSISTS OF PART I AND TWO OUT OF THE THREE PROBLEMS FROM PART II
Name: Chem 203 December 15, 2012 Final Exam Part I (40 points) TIS FINAL EXAM CNSISTS F PART I AND TW UT F TE TREE PRBLEMS FRM PART II IF TREE PRBLEMS FRM PART II ARE SUBMITTED, NLY TE FIRST TW (Part II,
NMR at UNC: Tips, Tricks, and Techniques
NMR at UNC: Tips, Tricks, and Techniques Laura Adduci UNC-Chapel Hill Graduate student Gagné Lab NMR Assistant Chemistry Department Topics and Examples 1. 2D spectra 2. Selective 1D spectra 3. Homonuclear
H-C one-bond correlations: HSQC Preliminaries.
A.- F. Miller 2010 C HSQC H-C one-bond correlations: HSQC Preliminaries. For both 1 H and C, you need a good power- pw90 pair and you should have good values for both sw and tof for both nuclei. In short,
Laboration 8a. Relaxation, T 1 -measurement with inversion recovery
, T 1 -measurement with inversion recovery KR Theory The way the magnetizations returns to equilibrium, relaxation, is a very important concept in NMR, for example, due to the fact that the rate of relaxation
NMR PRAKTIKUM. Data processing Data acquisition... 17
NMR PRAKTIKUM 1. INTRODUCTION... 2 1.1. Description of a Spectrometer... 2 1.2. Principle of a NMR Experiment... 4 1.2.1. 1D NMR experiment... 4 1.2.2. 2D NMR experiment... 5 2. PRACTICAL PART... 8 2.1.
Supplementary Information
Supplementary Information S1. Energy Minimization and ECD Calculations. Figure S1. HRESIMS spectrum of compound 1. Figure S2. IR spectrum of compound 1. Figure S3. 1 H NMR spectrum of compound 1 in CDCl
NMR Studies of a Series of Shikimic Acid Derivatives
Journal of the Chinese Chemical Society, 2007, 54, 1313-1320 1313 NMR Studies of a Series of Shikimic Acid Derivatives Ping Zhang ( ), Jian Huang ( ) and Fen-Er Chen* ( ) Department of Chemistry, Fudan
Gulaim A. Seisenbaeva,, Geoffrey Daniel, Jean-Marie Nedelec,, Vadim G. Kessler,*, Supplementary materials
Gulaim A. Seisenbaeva,, Geoffrey Daniel, Jean-Marie Nedelec,, Vadim G. Kessler,*, Department of Chemistry, Biocenter, Swedish University of Agricultural Sciences (SLU), Box 7015, SE-75007, Uppsala, Sweden,
PROTEIN NMR SPECTROSCOPY
List of Figures List of Tables xvii xxvi 1. NMR SPECTROSCOPY 1 1.1 Introduction to NMR Spectroscopy 2 1.2 One Dimensional NMR Spectroscopy 3 1.2.1 Classical Description of NMR Spectroscopy 3 1.2.2 Nuclear
NMR Spectroscopy: A Quantum Phenomena
NMR Spectroscopy: A Quantum Phenomena Pascale Legault Département de Biochimie Université de Montréal Outline 1) Energy Diagrams and Vector Diagrams 2) Simple 1D Spectra 3) Beyond Simple 1D Spectra 4)
Determining Chemical Structures with NMR Spectroscopy the ADEQUATEAD Experiment
Determining Chemical Structures with NMR Spectroscopy the ADEQUATEAD Experiment Application Note Author Paul A. Keifer, Ph.D. NMR Applications Scientist Agilent Technologies, Inc. Santa Clara, CA USA Abstract
Supporting Information
Supporting Information Supplementary Materials Isolation and characterisation of well-defined silicasupported azametallacyclopentane: key intermediate in catalytic hydroaminoalkylation reactions Bilel
Supramolecular chemical shift reagents inducing conformational transition: NMR analysis of carbohydrate homooligomer mixtures
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Supramolecular chemical shift reagents inducing conformational transition: NMR analysis of carbohydrate
Supplementary Information Access to side- chain carbon information in deuterated solids under ultra- fast MAS through non- rotor- synchronized mixing
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry Supplementary Information Access to side- chain carbon information in deuterated solids under ultra-
MULTIDIMENSIONAL NMR CHARACTERIZATION OF PERFLUORINATED MONOMER AND ITS PRECURSORS. A Thesis. Presented to
MULTIDIMENSIONAL NMR CHARACTERIZATION OF PERFLUORINATED MONOMER AND ITS PRECURSORS A Thesis Presented to The Graduate Faculty of The University of Akron In Partial Fulfillment of the Requirements for the
Two Dimensional (2D) NMR Spectroscopy
The two important parameters obtained from NMR spectra are; Two Dimensional (2D) NMR Spectroscopy py Correlation NMR a. Chemical shift b. Spin-spin coupling constant Large molecules with numerous atoms
Concentration measurements by PULCON using X-filtered or 2D NMR spectra
MAGNETIC RESONANCE IN CHEMISTRY Published online in Wiley InterScience (www.interscience.wiley.com). DOI: 10.1002/mrc.1838 Concentration measurements by PULCON using X-filtered or 2D NMR spectra Lars Dreier
High-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE
High-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE Foreword Preface Acknowledgements V VI I X Chapter 1. Introduction 1.1. The development of high-resolution NMR 1 1.2. Modern
NMR-spectroscopy. I: basics. Peter Schmieder
NMR-spectroscopy I: basics Why spectroscopy? 2/102 Why spectroscopy It is well established that all biological relevant processes take place via interactions of molecules, either small ones (metall ions,
Supporting Information
Supporting Information Nucleophilic ipso-substitution of Aryl Methyl Ethers through Aryl C OMe Bond Cleavage; an Access to Functionalized Bisthiophenes Abhishek Kumar Mishra, Ajay Verma, and Srijit Biswas*,
2D NMR: HMBC Assignments and Publishing NMR Data Using MNova
Homework 10 Chem 636, Fall 2014 due at the beginning of lab Nov 18-20 updated 10 Nov 2014 (cgf) 2D NMR: HMBC Assignments and Publishing NMR Data Using MNova Use Artemis (Av-400) or Callisto (Av-500) for
High-resolution probes for 19 F applications. Aitor Moreno Bruker BioSpin, Switzerland BeNeLux NMR User Meeting 2016, Brussels 25 th of November 2016
High-resolution probes for F applications Aitor Moreno Bruker BioSpin, Switzerland BeNeLux NMR User Meeting 206, Brussels 25 th of November 206 Fluorite (CaF 2 ), lat. fluores Innovation with Integrity
UI500NB Spectrometer: Advanced 1D and 2D NMR Experiments With Application to Structure Elucidation of Small Organic Molecules
Revised 29 Feb 2016; LZ and DLO UI500NB Spectrometer: Advanced 1D and 2D NMR Experiments With Application to Structure Elucidation of Small Organic Molecules You should finish basic NMR training with NMR
NMR course at the FMP: NMR of organic compounds and small biomolecules - II -
NMR course at the FMP: NMR of organic compounds and small biomolecules - II - 16.03.2009 The program 2/76 CW vs. FT NMR What is a pulse? Vectormodel Water-flip-back 3/76 CW vs. FT CW vs. FT 4/76 Two methods
- Supplementary Information- Real-time monitoring of a dynamic molecular system using 1 H- 13 C HSQC NMR spectroscopy with optimized 13 C window
- Supplementary Information- Real-time monitoring of a dynamic molecular system using 1 H- 13 C HSQC NMR spectroscopy with optimized 13 C window Giulio Gasparini, a Bruno Vitorge, b Paolo Scrimin, a Damien
X-Nucleus NMR: 31 P and 19 F
Chem 636, Fall 2008 HW #9 Due at the beginning of lab, the week of Oct 28 (cgf: updated 12 July 2010) X-ucleus MR: 31 P and 19 F Many nuclei in MR can be detected in a manner similar to 13 C. 31 P and
NMR course at the FMP: NMR of organic compounds and small biomolecules - III-
NMR course at the FMP: NMR of organic compounds and small biomolecules - III- 23.03.2009 The program 2/82 The product operator formalism (the PROF ) Basic principles Building blocks Two-dimensional NMR:
Login -the operator screen should be in view when you first sit down at the spectrometer console:
Lab #2 1D 1 H Double Resonance (Selective Decoupling) operation of the 400 MHz instrument using automated sample insertion (robot) and automated locking and shimming collection of 1D 1 H spectra retrieving
Nuclear magnetic resonance spectroscopy II. 13 C NMR. Reading: Pavia Chapter , 6.7, 6.11, 6.13
Nuclear magnetic resonance spectroscopy II. 13 NMR Reading: Pavia hapter 6.1-6.5, 6.7, 6.11, 6.13 1. General - more/better/additional structural information for larger compounds -problems: a) isotopes
Decoupling 2D NMR in Both Dimensions: Pure Shift NOESY and COSY **
Pure Shift 2D NMR DOI: 10.1002/anie.200((will be filled in by the editorial staff)) Decoupling 2D NMR in Both Dimensions: Pure Shift NOESY and COSY ** Juan A. Aguilar, Adam Colbourne, Julia Cassani, Mathias
Spin-spin coupling I Ravinder Reddy
Spin-spin coupling I Ravinder Reddy Spin-interactions External interactions Magnetic field Bo, RF field B1 Internal Interactions Molecular motions Exchange Chemical shifts J-coupling Spin Diffusion Dipolar
Technique Experiment 1-1
Chemistry 335. Technique Experiment 1A: Separation of Benzoin and Benzil Name: Date: Benzoin 1. Physical Properties (5 points) Color R f TLC Mobile Phase Amount isolated (mg) Mass recovery (%) 2. IR Spectrum
Electronic Supplementary Information for
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information for Perfecting pure shift HSQC: full homodecoupling for accurate
1H 1D-NOE Difference Spectra and Spin-Saturation Transfer Experiments on the GN500
UGN526 VVM-21JUN88CD VVM-31OCT91UD 1H 1D-NOE Difference Spectra and Spin-Saturation Transfer Experiments on the GN500 Double-resonance experiments are techniques which use a second irradiating field (B
Chemistry 605 (Reich)
Chemistry 605 (Reich) THIRD HOUR EXAM Wed. May 15, 2013 Question/Points R-12L /20 R-12M /15 R-12N /25 R-12O /10 R-12P /20 Total /90 Name If you place answers anywhere else except in the spaces provided,
Natural abundance solid-state 95 Mo MAS NMR of MoS 2 reveals precise 95 Mo anisotropic parameters from its central and satellite transitions
Electronic Supplementary Information for: Natural abundance solid-state 95 Mo MAS NMR of MoS 2 reveals precise 95 Mo anisotropic parameters from its central and satellite transitions Hans J. Jakobsen,*
Concepts on protein triple resonance experiments
2005 NMR User Training Course National Program for Genomic Medicine igh-field NMR Core Facility, The Genomic Research Center, Academia Sinica 03/30/2005 Course andout Concepts on protein triple resonance
Agilent s new solution for obtaining routinely quantitative results from NMR measurements. Magnetic Resonance Systems
Agilent s new solution for obtaining routinely quantitative results from NMR measurements. 1 Magnetic Resonance Systems The Scope of Analytical Chemistry Analytical Chemistry is the study of the separation,
A revision of the 13 C NMR spectral assignment of globulol
Spectroscopy 14 (1999) 61 66 61 IOS Press A revision of the 13 C NMR spectral assignment of globulol Masao Toyota, Masami Tanaka and Yoshinori Asakawa Faculty of Pharmaceutical Sciences, Tokushima Bunri
Certificate Of Analysis
Certificate f Analysis Compound: -Hydroxy Propranolol Molecular Formula: C H N. (mw base =.) Structure: MW =. base H 8 0 H C H N -Hydroxy Propranolol "FR CHEMICAL USE NLY" Synonyms: (CA index name) -[(-Methylethyl)amino]--(-{-hydroxy}-naphthalenyloxy)--Propanol
HMQC HSQC and HMBC. Gradient HMQC, HMBC on the Bruker400 and 500
1 Gradient HMQC, HMBC on the Bruker400 and 500 HMQC, HSQC - Heteronuclear Multiple Quantum Correlation. These experiments correlate the chemical shift of proton with the chemical shift of the directly
NMR FACILITY NEWSLETTER
NMR Newsletter NMR FACILITY NEWSLETTER Department of Chemistry and Biochemistry Matt Revington-Facility Coordinator mrevingt@uwindsor.ca Ext 3997 500 MHz NMR upgraded The 500 MHz NMR has received a $250,000
Mechanically Induced Pyrogallol[4]arene Hexamer Assembly in the Solid State Extends the Scope of Molecular Encapsulation
![Mechanically Induced Pyrogallol[4]arene Hexamer Assembly in the Solid State Extends the Scope of Molecular Encapsulation](/thumbs/82/86976534.jpg "Mechanically Induced Pyrogallol[4]arene Hexamer Assembly in the Solid State Extends the Scope of Molecular Encapsulation")
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information for: Mechanically Induced Pyrogallol[4]arene Hexamer
An introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions From tensor to NMR spectra CECAM Tutorial September 9 Calculation of Solid-State NMR Parameters Using the GIPAW Method Thibault Charpentier - CEA
Light irradiation experiments with coumarin [1]
![Light irradiation experiments with coumarin [1]](/thumbs/88/114731970.jpg "Light irradiation experiments with coumarin [1]")
Materials and instruments All the chemicals were purchased from commercial suppliers and used as received. Thin-layer chromatography (TLC) analysis was carried out on pre-coated silica plates. Column chromatography
It is possible to choose the temperature for each experiment by setting a temperature under the Temp pane (under the Standard panel).
1 2 The study queue gives a lot of flexibility for lining up experiments: they can be run at different temperatures or at different times. You must respect the instrument limits: do not submit experiments
NMR-spectroscopy in solution - an introduction. Peter Schmieder
NMR-spectroscopy in solution - an introduction 2/92 Advanced Bioanalytics NMR-Spectroscopy Introductory session (11:00 12:30) Basic aspects of NMR-spectroscopy NMR parameter Multidimensional NMR-spectroscopy
Detection of quadrupolar nuclei by ultrafast 2D-NMR: exploring the case of deuterated analytes aligned in chiral oriented solvents
Electronic Supplementary Material (ESI) for Please ChemComm. do not adjust margins This journal is The Royal Society of Chemistry 2015 Electronic Supplementary Information Detection of quadrupolar nuclei
Rhodamine B pentyl ester and its methyl, ethyl, propyl, and butyl homologues
Rhodamine B pentyl ester and its methyl, ethyl, propyl, and butyl homologues Author Cosgrove, Kelly Published 2006 Journal Title Molbank Version Published DOI https://doi.org/10.3390/m515 Copyright Statement
The Virtual NMR Spectrometer: A Computer Program for Efficient Simulation of NMR Experiments Involving Pulsed Field Gradients
Journal of Magnetic Resonance 145, 262 275 (2000) doi:10.1006/jmre.2000.2108, available online at http://www.idealibrary.com on The Virtual NMR Spectrometer: A Computer Program for Efficient Simulation
Adam Wu, Jean Michel Lauzon, Indah Andriani, and Brian R. James*
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2014 Breakdown of lignins, lignin model compounds, and hydroxy-aromatics, to C 1 and C 2 chemicals
Ibuprofen. Example of benchtop NMR on small organic molecules
R Ibuprofen Example of benchtop NMR on small organic molecules Ibuprofen (C 13 H 18 O 2 ) is a non-steroidal antiinflammatory drug (NSAID) and is commonly used for pain relief, fever reduction and against
picospin 45: Regioisomers of Butanol Dean Antic, Ph.D., Thermo Fisher Scientific, Boulder, CO, USA
Thermo Fisher Scientific Molecular Spectroscopy 525 Verona Rd, Madison, WI 53711 (608 276-6100 www.thermoscientific.com picospin 45: Regioisomers of Butanol Dean Antic, Ph.D., Thermo Fisher Scientific,
Three-Dimensional Triple-Resonance NMR of 13C / 15N-Enriched Proteins Using Constant-Time Evolution
JOURNAL OF MAGNETIC RESONANCE 94,209-2 13 ( 199 1) Three-Dimensional Triple-Resonance NMR of 13C / 15N-Enriched Proteins Using Constant-Time Evolution ROBERTPOWERS, ANGELA M. GRONENBORN,G.MARIUSCLORE,ANDADBAX
A Thesis. Presented to. The Graduate Faculty of The University of Akron. In Partial Fulfillment. of the Requirements for the Degree.
19 F DOSY DIFFUSION NMR SPECTROSCOPY OF FLUOROPOLYMERS A Thesis Presented to The Graduate Faculty of The University of Akron In Partial Fulfillment of the Requirements for the Degree Master of Science
Adiabatic Single Scan Two-Dimensional NMR Spectrocopy
Published on Web 09/13/2003 Adiabatic Single Scan Two-Dimensional NMR Spectrocopy Philippe Pelupessy*, Contribution from the Département de Chimie, associé au CNRS, Ecole Normale Supérieure, 24 rue Lhomond,
Technical Note. Introduction
Technical Note Characterization of Eleven 2,5-Dimethoxy-N-(2-methoxybenzyl)- phenethylamine (NBOMe) Derivatives and Differentiation from their 3- and 4- Methoxybenzyl Analogues - Part II Patrick A. Hays*,
NMR-spectroscopy of proteins in solution. Peter Schmieder
NMR-spectroscopy of proteins in solution Basic aspects of NMR-Spektroskopie Basic aspects of NMR-spectroscopy 3/84 Prerequisite for NMR-spectroscopy is a nuclear spin that can be thought of as a mixture
Carbon and Heteronuclear NMR on the Bruker
Carbon and Heteronuclear NMR on the Bruker There are several different types of carbon spectra such as a normal qualitative spectrum, DEPT, coupled, and those with and without NOE. This handout discusses
Basic One- and Two-Dimensional NMR Spectroscopy
Horst Friebolin Basic One- and Two-Dimensional NMR Spectroscopy Third Revised Edition Translated by Jack K. Becconsall WILEY-VCH Weinheim New York Chichester Brisbane Singapore Toronto Contents XV 1 The
Non Uniform Sampling in Routine 2D Correlation Experiments
Analytical and Imaging Solutions for Advanced R&D Non Uniform Sampling in Routine 2D Correlation Experiments NUCLEAR MAGNETIC RESONANCE INTRODUCTION Data obtained from two-dimensional NMR experiments is
IMSERC NMR MANUAL 03: NMR BASICS
IMSERC NMR MANUAL 03: NMR BASICS Last updated: August 24, 2011, by Josh Kurutz, at Northwestern University s IMSERC facility (Integrated Molecular Structure Education and Research Center, imserc.chem.northwestern.edu)
CHEM / BCMB 4190/6190/8189. Introductory NMR. Lecture 10
CHEM / BCMB 490/690/889 Introductory NMR Lecture 0 - - CHEM 490/690 Spin-Echo The spin-echo pulse sequence: 90 - τ - 80 - τ(echo) Spins echoes are widely used as part of larger pulse sequence to refocus
Structural characterization of complexes using NOESY experiments
Structural characterization of complexes using NOESY experiments Isotope labeling ( 3 C, 5 N) allows observation of individual components of a (binary) complex) H, 3 C, 5 N H, 3 C, 5 N 2 H/ H, 2 C, 4 N
NMR Data workup using NUTS
omework 1 Chem 636, Fall 2008 due at the beginning of the 2 nd week lab (week of Sept 9) NMR Data workup using NUTS This laboratory and homework introduces the basic processing of one dimensional NMR data
Stable isotope analytical methods
Stable isotope analytical methods Powerful to ensure food and beverage authenticity. Based on the principle that C, H, O, N of organic matter exist in their naturally occurring isotopic forms - 13 C/ 12
J. Am. Chem. Soc., 1997, 119(5), , DOI: /ja962780a
J. Am. Chem. Soc., 1997, 119(5), 918-925, DOI:10.1021/ja962780a Terms & Conditions Electronic Supporting Information files are available without a subscription to ACS Web Editions. The American Chemical
Dynamics of Poly(vinyl butyral) studied by Dielectric Spectroscopy and
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 Dynamics of Poly(vinyl butyral) studied by Dielectric Spectroscopy and 1 H NMR
4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999
44 4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999 Double-quantum filtered COSY The phase problem of normal COSY can be circumvented by the DQF-COSY, using the MQC term generated by the second 90
pyridoxal phosphate synthase
Supplementary Information 13 C-NMR snapshots of the complex reaction coordinate of pyridoxal phosphate synthase Jeremiah W. Hanes, Ivan Keresztes, and Tadhg P. Begley * Department of Chemistry and Chemical
NMR Spectroscopy. Guangjin Hou
NMR Spectroscopy Guangjin Hou 22-04-2009 NMR History 1 H NMR spectra of water H NMR spectra of water (First NMR Spectra on Water, 1946) 1 H NMR spectra ethanol (First bservation of the Chemical Shift,
Biochemistry 530 NMR Theory and Practice
Biochemistry 530 NMR Theory and Practice Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington Lecturer: Gabriele Varani Biochemistry and Chemistry Room J479 and
Anion recognition in water by a rotaxane containing a secondary rim functionalised cyclodextrin stoppered axle
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Supplementary Information: Anion recognition in water by a rotaxane containing a secondary rim
CHEMISTRY Organic Chemistry Laboratory II Spring 2019 Lab #5: NMR Spectroscopy
Team Members: Unknown # CHEMISTRY 244 - Organic Chemistry Laboratory II Spring 2019 Lab #5: NMR Spectroscopy Purpose: You will learn how to predict the NMR data for organic molecules, organize this data
Supporting Information. Designing porphyrinic covalent organic frameworks for the photodynamic inactivation of bacteria Řež, Czech Republic
Supporting Information Designing porphyrinic covalent organic frameworks for the photodynamic inactivation of bacteria Jan Hynek, a,b Jaroslav Zelenka, c Jiří Rathouský, d Pavel Kubát, d Tomáš Ruml, c
A Versatile Resolving Agent for Diffusion. Edited Separation of Enantiomers, Complex. Mixtures and Constitutional Isomers
Supporting Information A Versatile Resolving Agent for Diffusion Edited Separation of Enantiomers, Complex Mixtures and Constitutional Isomers Sachin Rama Chaudhari a,b, Srinivasa a and N. Suryaprakash