Dataset

33d[33d-C.jdx]

This dataset contains NMR spectra obtained for the sample -33d date: 2023/01/11 10:32:54.000 isFt: true name: 33d-C type: NMR SPECTRUM isFid: false lastX: -516.7275450728589 title: LJC-112-1-E.2.fid firstX: 30733.27245492714 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: 2023/01/11 10:22:18.000 isFt: true name: 33d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-112-1-E.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/C23H19NO/c1-2-6-17(7-3-1)23-15-20(19-8-4-5-9-22(19)25-23)18-11-10-16-12-13-24-21(16)14-18/h1-14,20,23-24H,15H2
SMILES C1=CC=C(C2CC(C3=CC4=C(C=CN4)C=C3)C3=CC=CC=C3O2)C=C1
InChI Key WXXZZALCBQFLSG-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1172.d5118
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5118
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol5245 (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.