Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C19H16O3/c1-22-16-12-15(13-8-4-2-5-9-13)18(20)19(21)17(16)14-10-6-3-7-11-14/h2-12,20-21H,1H3
SMILES COc1cc(c2ccccc2)c(c(c1c1ccccc1)O)O
InChI Key HMCUGCPHZLJKMS-UHFFFAOYSA-N
Molecular Formula C19H16O3
Exact Mass 292.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HMCUGCPHZLJKMS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HMCUGCPHZLJKMS-UHFFFAOYSA-N/CHMO0000595
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-03
Related Molecule
  • 4-methoxy-3,6-diphenylbenzene-1,2-diol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2023-01-24

    Start time : 18:51:51 UTC

    Label : JCL-51

    ID : 132110

    Solvent : DMSO

    Temperature : 294 K K

    Puls programme : zgpg30

    Number of scans : 640

    Instrument : spect

    Name : TopSpin

    Version : 3.6.5

    Data-Source Molecule ID Data-Source
    CHEBI:200175 chebi
    CHEMBL496052 chembl
    30545089 surechembl
    167947 pubchem
    24340 brenda
    The data in this table is sourced from UniChem at EBI.