Dataset

nuclear magnetic resonance spectroscopy (NMR)

dataset for nuclear magnetic resonance spectroscopy (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/CHMO0000591
License URL
Source https://www.chemotion-repository.net/inchikey/HMCUGCPHZLJKMS-UHFFFAOYSA-N/CHMO0000591
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 nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24340 Brenda
    167947 PubChem
    14824894 PubChem: Thomson Pharma
    20958-04-7 ACToR
    70007201 NMRShiftDB
    CHEMBL496052 ChEMBL
    J126.288B Nikkaji
    The data in this table is sourced from UniChem at EBI.