Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
SMILES CC(=O)Oc1ccc(cc1)C(=O)O
InChI Key GDBUZIKSJGRBJP-UHFFFAOYSA-N
Molecular Formula C9H8O4
Exact Mass 180.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDBUZIKSJGRBJP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/GDBUZIKSJGRBJP-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 4-acetyloxybenzoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86560 chebi
    CHEMBL131987 chembl
    40184 surechembl
    16865 pubchem
    5L73XP7H9J fdasrs
    PD221013 probes_and_drugs
    ZEPZAX CCDC
    233471 brenda
    Molport-000-645-271 molport
    The data in this table is sourced from UniChem at EBI.