Dataset

27d[27d-C.jdx]

This dataset contains NMR spectra obtained for the sample -27d date: 2023/03/17 16:45:52.000 isFt: true name: 27d-C type: NMR SPECTRUM isFid: false lastX: -518.3459262876959 title: LJC-120-11-A.2.fid firstX: 30731.654073712205 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: 2023/04/29 08:43:18.000 isFt: true name: 27d-F type: NMR SPECTRUM isFid: false lastX: -61722.364078126 title: LJC-120-11-A-cdcl3-F.3.fid firstX: 5241.921636159699 nucleus: 19F solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgflqn numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 282.376114778779 acquisitionScheme: undefined date: 2023/03/17 16:39:47.000 isFt: true name: 27d-H type: NMR SPECTRUM isFid: false lastX: -1911.45100001241 title: LJC-120-11-A.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/C21H16F2O/c22-18-11-10-15(12-19(18)23)17-13-21(14-6-2-1-3-7-14)24-20-9-5-4-8-16(17)20/h1-12,17,21H,13H2
SMILES FC1=C(F)C=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key NUSBPCLCYVXJRI-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1194.d5166
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5166
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol3262 (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.