Dataset

34d[34d-C.jdx]

This dataset contains NMR spectra obtained for the sample -34d date: 2022/12/29 16:50:29.000 isFt: true name: 34d-C type: NMR SPECTRUM isFid: false lastX: -518.8654304695674 title: LJC-113-10-A.2.fid firstX: 30731.134569530434 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: 2025/05/27 09:11:07.000 isFt: true name: 34d-H type: NMR SPECTRUM isFid: false lastX: -768.1536484788794 title: HXY-17-58-3.1.fid firstX: 8246.131879263921 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.193751425 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C22H17NOS/c1-2-6-15(7-3-1)21-13-18(17-8-4-5-9-20(17)24-21)16-10-11-19-22(12-16)25-14-23-19/h1-12,14,18,21H,13H2
SMILES C1=CC=C(C2CC(C3=CC4=C(C=C3)N=CS4)C3=CC=CC=C3O2)C=C1
InChI Key TWYJREDWCZHZJJ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1188.d5153
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5153
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol3184 (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.