Dataset

28d[28d-C.jdx]

This dataset contains NMR spectra obtained for the sample -28d date: 2024/03/04 17:18:46.000 isFt: true name: 28d-C type: NMR SPECTRUM isFid: false lastX: -518.1331325382596 title: LJC-65-369g.2.fid firstX: 30731.86686746174 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.78796814 acquisitionScheme: undefined date: 2025/05/28 16:38:14.000 isFt: true name: 28d-F type: NMR SPECTRUM isFid: false lastX: -83104.3814545596 title: WT-20250528-2.10.fid firstX: 7804.709454531301 nucleus: 19F solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgig numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 376.460716378 acquisitionScheme: undefined date: 2025/05/23 10:04:05.000 isFt: true name: 28d-H type: NMR SPECTRUM isFid: false lastX: -768.1536484788794 title: HXY-17-55-2.1.fid firstX: 8246.131879263921 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.193751425 acquisitionScheme: undefined date: 2024/03/04 09:49:31.000 isFt: true name: 28d-H1 type: NMR SPECTRUM isFid: false lastX: -748.980000000768 title: LJC-65-369g.1.fid firstX: 6751.019999999252 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.19300102 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C21H16F2O/c22-15-10-11-16(19(23)12-15)18-13-21(14-6-2-1-3-7-14)24-20-9-5-4-8-17(18)20/h1-12,18,21H,13H2
SMILES FC1=CC(F)=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key IHJUAYDXSMNMJM-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1187.d5149
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5149
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol4547 (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.