Dataset

40d[40d-C.jdx]

This dataset contains NMR spectra obtained for the sample -40d date: 2023/03/21 10:07:48.000 isFt: true name: 40d-C type: NMR SPECTRUM isFid: false lastX: -518.5597151308565 title: HXY-12-71-3.2.fid firstX: 30731.440284869044 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782938675584 acquisitionScheme: undefined date: 2023/03/21 10:05:46.000 isFt: true name: 40d-H type: NMR SPECTRUM isFid: false lastX: -1911.45100001241 title: HXY-12-71-3.1.fid firstX: 8088.54899997887 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173088549 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C22H18Cl2/c23-21-13-10-16(14-22(21)24)18-12-11-17(15-6-2-1-3-7-15)19-8-4-5-9-20(18)19/h1-10,13-14,17-18H,11-12H2
SMILES ClC1=CC=C(C2CCC(C3=CC=CC=C3)C3=CC=CC=C32)C=C1Cl
InChI Key MLLOHBGQQDNIHD-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1175.d5124
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5124
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol3403 (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.