Dataset

2d[2d-C.jdx]

This dataset contains NMR spectra obtained for the sample -2d date: 2022/12/08 12:14:05.000 isFt: true name: 2d-C type: NMR SPECTRUM isFid: false lastX: -520.4374050259685 title: LJC-111-1-A.2.fid firstX: 30729.56259497403 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: 2025/05/13 16:44:52.000 isFt: true name: 2d-H type: NMR SPECTRUM isFid: false lastX: -768.1911603854007 title: ZL-Z52d-1.1.fid firstX: 8246.23191653765 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.193751425 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C21H18O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2
SMILES C1=CC=C(C2CC(C3=CC=CC=C3)C3=CC=CC=C3O2)C=C1
InChI Key USXBLIHNVAJTSN-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1181.d5136
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5136
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • 2,4-diphenyl-3,4-dihydro-2H-chromene
    • 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
    MCULE-7070254335 Mcule
    7540021 eMolecules
    55256-25-2 ACToR
    J108.080F Nikkaji
    DTXSID00313965 EPA CompTox Dashboard
    322302 PubChem
    The data in this table is sourced from UniChem at EBI.