Dataset

31d[31d-C.jdx]

This dataset contains NMR spectra obtained for the sample -31d date: 2022/12/14 10:51:42.000 isFt: true name: 31d-C type: NMR SPECTRUM isFid: false lastX: -517.5952750279932 title: LJC-111-9-A.2.fid firstX: 30732.404724972006 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: 2022/12/14 10:33:27.000 isFt: true name: 31d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-111-9-A.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/C27H20O2/c1-2-8-18(9-3-1)26-17-23(21-11-5-7-13-25(21)28-26)19-14-15-22-20-10-4-6-12-24(20)29-27(22)16-19/h1-16,23,26H,17H2
SMILES C1=CC=C(C2CC(C3=CC=C4C(=C3)OC3=CC=CC=C34)C3=CC=CC=C3O2)C=C1
InChI Key AOLYKSFQCHYCOJ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1199.d5179
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5179
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol2136 (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.