Dataset

21d[21d-H.jdx]

This dataset contains NMR spectra obtained for the sample -21d date: 2023/03/20 16:55:56.000 isFt: true name: 21d-C type: NMR SPECTRUM isFid: false lastX: -524.5961059965695 title: LJC-120-13-A.2.fid firstX: 30725.40389400333 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: 2023/03/20 16:51:53.000 isFt: true name: 21d-H type: NMR SPECTRUM isFid: false lastX: -1911.45100001241 title: LJC-120-13-A.11.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/C21H17BrO/c22-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)23-20-9-5-4-8-18(19)20/h1-13,19,21H,14H2
SMILES BrC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key CWIROMXPLMFMOB-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1183.d5141
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5141
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol7488 (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.