Dataset

1d[1d-H.jcamp]

This dataset contains NMR spectra obtained for the sample -1d date: 2022/12/15 11:48:03.000 isFt: true name: 1d-C type: NMRSPECTRUM isFid: false lastX: -353.996738994076 title: LJC-112-12-A.2.fid firstX: 30896.003261005924 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: 2023/04/13 01:18:05.000 isFt: true name: 1d-F type: NMRSPECTRUM isFid: false lastX: -61722.364078126 title: LJC-112-12-A-H-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: 2022/12/15 11:44:47.000 isFt: true name: 1d-H type: NMRSPECTRUM isFid: false lastX: -767.575007509668 title: LJC-112-12-A.1.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/C22H19FO/c1-15-11-12-17(13-20(15)23)19-14-22(16-7-3-2-4-8-16)24-21-10-6-5-9-18(19)21/h2-13,19,22H,14H2,1H3
SMILES CC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1F
InChI Key BFRGULMSVRXDOP-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1201.d5185
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5185
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol7578 (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.