Dataset

41d[41d-C.jdx]

This dataset contains NMR spectra obtained for the sample -41d date: 2023/03/24 16:27:22.000 isFt: true name: 41d-C type: NMR SPECTRUM isFid: false lastX: -519.10047514591 title: LJC-1-7a-A.2.fid firstX: 30730.89952485399 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782938675584 acquisitionScheme: undefined date: 2023/03/24 09:18:10.000 isFt: true name: 41d-H type: NMR SPECTRUM isFid: false lastX: -767.586324000768 title: LJC-1-7a-A.1.fid firstX: 6732.4136759992525 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.17300102 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C27H29ClO2/c1-18(2)17-21-5-7-24(8-6-21)20(4)27(29)30-26-15-11-23(12-16-26)19(3)22-9-13-25(28)14-10-22/h5-16,18-20H,17H2,1-4H3
SMILES CC(C)CC1=CC=C(C(C)C(=O)OC2=CC=C(C(C)C3=CC=C(Cl)C=C3)C=C2)C=C1
InChI Key UAWJXZOQTBFBII-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1196.d5173
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source //nmrxiv.org/D5173
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30 12:26:38
Related Molecule
  • nfdi4chem-mol1946 (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.