Dataset

13d[13d-H.jdx]

This dataset contains NMR spectra obtained for the sample -13d date: 2023/01/05 10:16:17.000 isFt: true name: 13d-C type: NMR SPECTRUM isFid: false lastX: -525.3545414383977 title: LJC-113-19-A.2.fid firstX: 30724.6454585616 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: 2023/01/04 09:34:31.000 isFt: true name: 13d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-113-19-A.11.fid firstX: 8246.848069413432 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/C22H20OS/c1-24-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)23-21-10-6-5-9-19(20)21/h2-14,20,22H,15H2,1H3
SMILES CSC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key DFJLKLZVBCYETQ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1189.d5156
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5156
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol9272 (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 :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : zg30

    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.