Dataset

3d[3d-C.jdx]

This dataset contains NMR spectra obtained for the sample -3d date: 2023/02/16 01:55:36.000 isFt: true name: 3d-C type: NMR SPECTRUM isFid: false lastX: -1460.6599425457257 title: LJC-115-14-A.2.fid firstX: 16568.186211300475 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 75.4752949452788 acquisitionScheme: undefined date: 2022/12/08 09:18:29.000 isFt: true name: 3d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-111-6-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/C22H20O/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21/h2-14,20,22H,15H2,1H3
SMILES CC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key BFGKTKYZVQPGOB-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1174.d5122
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5122
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • 4-(4-methylphenyl)-2-phenyl-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
    J3.619.392A Nikkaji
    8199025 eMolecules
    MCULE-8268936512 Mcule
    4125010 PubChem
    The data in this table is sourced from UniChem at EBI.