Dataset

wil-190407-174151_oa.1d

This dataset contains NMR spectra obtained for the sample -wil-190407-174151_oa date: 2019-04-07T15:52:49.000Z isFt: false name: wil-190407-174151_oa/1 phc0: 64.29658 phc1: -18.28524 type: NMR FID DECIM: 3328 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00008319999999999984 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 297.16 spectrumSize: 32768 baseFrequency: 300.13 digitalFilter: 67.9842681884766 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.0008319999999999984 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-07T15:52:49.000Z isFt: true name: wil-190407-174151_oa/1 phc0: 64.29658 phc1: -18.28524 type: NMR Spectrum DECIM: 3328 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.00232508628897 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 297.16 spectrumSize: 32768 baseFrequency: 300.13 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.0008319999999999984 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C15H13N5O6S2.K/c16-19-17-13-5-1-11(2-6-13)9-15(18-26-28(23,24)25)27-10-12-3-7-14(8-4-12)20(21)22;/h1-8H,9-10H2,(H,23,24,25);/q;+1/p-1/b18-15-;
SMILES	[K+].[N-]=[N+]=NC1=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC2=CC=C([N+](=O)[O-])C=C2)C=C1
InChI Key	LDYWRZUIISMNGA-MWIGPOFTSA-M

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p60.s404.d2064
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D2064
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:45:03.565914
MetadataModified	2024-09-23T09:29:09.257072
MetadataPublished	2024-02-18 19:41:59

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 Temperature : 297.16 K magnetic field strength : 7.049031799154046 Tesla number of scans : 24 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.0232508628897 number of data points : 11 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.