Dataset

36d[36d-H.jdx]

This dataset contains NMR spectra obtained for the sample -36d date: 2023/01/02 14:42:12.000 isFt: true name: 36d-C type: NMR SPECTRUM isFid: false lastX: -517.8216393641155 title: HXY-113-13-2.2.fid firstX: 30732.178360635884 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: 2023/01/02 09:34:54.000 isFt: true name: 36d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: HXY-113-13-2.11.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/C19H16OS/c1-2-7-14(8-3-1)18-13-16(19-11-6-12-21-19)15-9-4-5-10-17(15)20-18/h1-12,16,18H,13H2
SMILES C1=CC=C(C2CC(C3=CC=CS3)C3=CC=CC=C3O2)C=C1
InChI Key SFYLQDHKPOLGHQ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1206.d5195
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source //nmrxiv.org/D5195
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30 12:26:38
Related Molecule
  • nfdi4chem-mol6964 (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.