Dataset

wil-190425-190514_oa[3]

This dataset contains NMR spectra obtained for the sample -wil-190425-190514_oa date: 2019-04-25T20:32:49.000Z isFt: false name: wil-190425-190514_oa/1 phc0: 41.32904 phc1: -5.029421 type: NMR FID DECIM: 3224 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00008060000000006427 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: 1d groupDelay: 67.9872741699219 temperature: 298.0007 spectrumSize: 32768 baseFrequency: 300.26 digitalFilter: 67.9872741699219 fieldStrength: 7.052085056522153 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.6602132997994 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.001209000000000964 frequencyOffset: 1853.8049999961004 originFrequency: 300.261853805 pulseStrength90: 20833.333333333332 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-25T20:32:49.000Z isFt: true name: wil-190425-190514_oa/1 phc0: 41.32904 phc1: -5.029421 type: NMR Spectrum DECIM: 3224 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.37734755331996 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: 1d groupDelay: 67.9872741699219 temperature: 298.0007 spectrumSize: 32768 baseFrequency: 300.26 fieldStrength: 7.052085056522153 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.6602132997994 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.001209000000000964 frequencyOffset: 1853.8049999961004 originFrequency: 300.261853805 pulseStrength90: 20833.333333333332 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-25T21:27:08.000Z isFt: false name: wil-190425-190514_oa/2 phc0: 151.9599 phc1: -33.36739 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.00002533333333316895 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: 1d groupDelay: 67.9891052246094 temperature: 297.9993 spectrumSize: 65536 baseFrequency: 75.500438 digitalFilter: 67.9891052246094 fieldStrength: 7.050582923182542 numberOfScans: 696 pulseSequence: zgpg30 spectralWidth: 261.384601836714 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.00027866666666485847 frequencyOffset: 8379.148000003057 originFrequency: 75.508817148 pulseStrength90: 26315.78947368421 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-25T21:27:08.000Z isFt: true name: wil-190425-190514_oa/2 phc0: 151.9599 phc1: -33.36739 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 23.762236530610366 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: 1d groupDelay: 67.9891052246094 temperature: 297.9993 spectrumSize: 65536 baseFrequency: 75.500438 fieldStrength: 7.050582923182542 numberOfScans: 696 pulseSequence: zgpg30 spectralWidth: 261.384601836714 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.00027866666666485847 frequencyOffset: 8379.148000003057 originFrequency: 75.508817148 pulseStrength90: 26315.78947368421 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-25T21:54:30.000Z isFt: false name: wil-190425-190514_oa/3 phc0: 199.7934 phc1: -107.8453 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.00002533333333316895 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: dept groupDelay: 67.9891052246094 temperature: 297.9995 spectrumSize: 65536 baseFrequency: 75.500438 digitalFilter: 67.9891052246094 fieldStrength: 7.050582923182542 numberOfScans: 344 pulseSequence: deptsp135 spectralWidth: 261.384601836714 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0003546666666643653 frequencyOffset: 8379.148000003057 originFrequency: 75.508817148 pulseStrength90: 26315.78947368421 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-25T21:54:30.000Z isFt: true name: wil-190425-190514_oa/3 phc0: 199.7934 phc1: -107.8453 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 5 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 18.67032870262243 isComplex: true probeName: Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z) experiment: dept groupDelay: 67.9891052246094 temperature: 297.9995 spectrumSize: 65536 baseFrequency: 75.500438 fieldStrength: 7.050582923182542 numberOfScans: 344 pulseSequence: deptsp135 spectralWidth: 261.384601836714 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0003546666666643653 frequencyOffset: 8379.148000003057 originFrequency: 75.508817148 pulseStrength90: 26315.78947368421 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C8H8N4O/c9-12-11-8-3-1-7(2-4-8)5-6-10-13/h1-4,6,13H,5H2/b10-6+
SMILES [N-]=[N+]=NC1=CC=C(C/C=N/O)C=C1
InChI Key CZPVOYKQXYHIKA-UXBLZVDNSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p60.s410.d2082
License URL https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source https://nmrxiv.org/D2082
Version
Author
Maintainer
Language english
MetadataPublished 2024-02-18T19:41:59.000000Z
Related Molecule
  • nfdi4chem-mol6960 (Unknown Molecule)
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : Z104275_0359 (PA BBO 300S1 BBF-H-D-05 Z)

    Temperature : 297.9995 K

    magnetic field strength : 7.050582923182542 Tesla

    number of scans : 344 scans

    nuclear magnetic resonance pulse sequence : deptsp135

    Spectral Width : 261.384601836714

    number of data points : 15 points

    relaxation time measurement : 2 seconds

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