Dataset

23d[23d-F.jdx]

This dataset contains NMR spectra obtained for the sample -23d date: 2023/01/06 10:03:43.000 isFt: true name: 23d-C type: NMR SPECTRUM isFid: false lastX: -520.1481617075915 title: LJC-113-22-A.2.fid firstX: 30729.85183829241 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: 2023/02/21 08:18:46.000 isFt: true name: 23d-F type: NMR SPECTRUM isFid: false lastX: -61722.364078126 title: LJC-113-22-A-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: 2023/01/05 16:49:33.000 isFt: true name: 23d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-113-22-A.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/C22H17F3O/c23-22(24,25)17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(19)20/h1-13,19,21H,14H2
SMILES FC(F)(F)C1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key NRXOWYGJRFFBLK-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1190.d5158
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source //nmrxiv.org/D5158
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30 12:26:38
Related Molecule
  • nfdi4chem-mol5542 (Unknown Molecule)
    • Field Value
    Measurement Technique 1d
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['19F']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : zgflqn

    Spectral Width :

    number of data points : 131072 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.