Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/HMCUGCPHZLJKMS-UHFFFAOYSA-N/CHMO0001148
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 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Date : 2023-01-24

    Starting time : 19:14:35 UTC

    label : JCL-51

    id : 132110

    Solvent used for referencing : DMSO

    temperature : 293.9999 K

    PULPROG : hmbcgplpndqf

    number of scans : 4 scans

    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.