Dataset

35d[35d-C.jdx]

This dataset contains NMR spectra obtained for the sample -35d date: 2022/12/16 13:12:36.000 isFt: true name: 35d-C type: NMR SPECTRUM isFid: false lastX: -518.1989132576521 title: LJC-112-5-A.2.fid firstX: 30731.801086742347 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2022/12/13 09:25:42.000 isFt: true name: 35d-H type: NMR SPECTRUM isFid: false lastX: -767.8751073379266 title: LJC-112-5-A.11.fid firstX: 8246.547969585174 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C19H16OS/c1-2-6-14(7-3-1)19-12-17(15-10-11-21-13-15)16-8-4-5-9-18(16)20-19/h1-11,13,17,19H,12H2
SMILES C1=CC=C(C2CC(C3=CSC=C3)C3=CC=CC=C3O2)C=C1
InChI Key YNSKQPXDFZGPLG-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1171.d5116
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5116
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol7721 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width :

    number of data points : 65536 points

    relaxation time measurement : seconds

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