Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
SMILES O=Cc1cc(O)cc(c1)O
InChI Key HAQLHRYUDBKTJG-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-04
Related Molecule
  • 3,5-dihydroxybenzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:50204 chebi
    37131 surechembl
    94365 pubchem
    P9FU6Z2MAA fdasrs
    PD131130 probes_and_drugs
    Molport-001-794-384 molport
    The data in this table is sourced from UniChem at EBI.