Dataset

30d[30d-C.jdx]

This dataset contains NMR spectra obtained for the sample -30d date: 2023/01/08 10:54:11.000 isFt: true name: 30d-C type: NMR SPECTRUM isFid: false lastX: -526.599545287067 title: LJC-114-4-A.2.fid firstX: 30723.400454712933 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: 2023/01/06 16:02:27.000 isFt: true name: 30d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-114-4-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/C22H19ClO2/c1-24-22-13-16(11-12-19(22)23)18-14-21(15-7-3-2-4-8-15)25-20-10-6-5-9-17(18)20/h2-13,18,21H,14H2,1H3
SMILES COC1=CC(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)=CC=C1Cl
InChI Key QQSBLOXOGOCTEC-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1182.d5138
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5138
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol7169 (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.