Dataset

1e (E)[1H NMR]

This dataset contains NMR spectra obtained for the sample -1e (E) date: 2023-08-17T20:05:57.000Z isFt: true name: 1e (E)/0 phc0: 10.4158 phc1: 7.65225 type: NMR Spectrum DECIM: 832 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 26.53943439305978 isComplex: true probeName: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) experiment: 1d groupDelay: 67.9839324951172 temperature: 299.997 spectrumSize: 32768 baseFrequency: 100.63037 fieldStrength: 9.397333142299662 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 238.854909537538 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0001872000000002808 frequencyOffset: 10063.076999998088 originFrequency: 100.640433077 pulseStrength90: 25510.20408163265 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-08-17T12:03:16.000Z isFt: true name: 1e (E)/0 phc0: -113.1106 phc1: -8.707524 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.2832010178864888 isComplex: true probeName: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) experiment: 1d groupDelay: 76 temperature: 300.0003 spectrumSize: 65536 baseFrequency: 400.2 fieldStrength: 9.399335374742444 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.5488091609784 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0005472000000000004 frequencyOffset: 2471.3988220241845 originFrequency: 400.202471398822 pulseStrength90: 20491.803278688527 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C24H16S/c1-2-4-22-19(3-1)9-11-21-12-10-20-8-7-17(15-23(20)24(21)22)5-6-18-13-14-25-16-18/h1-16H/b6-5+
SMILES C(=C/C1=CC2=C3C(=CC=C2C=C1)C=CC1=C3C=CC=C1)\C1=CSC=C1
InChI Key LZVOMYZKKMXMMH-AATRIKPKSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p146.s1456.d6368
License URL
Source https://nmrxiv.org/D6368
Version
Author Katherine Lyon, Chenyu Pan, Shainthavaan Sathiyalingam, Yang Wu, Jochen R. Brandt
Maintainer
Language english
MetadataPublished 2026-03-26T10:57:31.000000Z
Related Molecule
  • nfdi4chem-mol2437 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS)

    Temperature : 300.0003 K

    magnetic field strength : 9.399335353216285 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 20.5488091609784

    number of data points : 65536 points

    relaxation time measurement : 1 seconds

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