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
    SCHEMBL40184 SureChEMBL
    MCULE-5488979007 Mcule
    15462622 PubChem: Thomson Pharma
    16865 PubChem
    2345-34-8 ACToR
    474587 eMolecules
    CHEMBL131987 ChEMBL
    233471 Brenda
    86560 ChEBI
    ZEPZAX CCDC
    J120.950G Nikkaji
    DTXSID1062334 EPA CompTox Dashboard
    ZINC000000225517 ZINC
    CB8351333 ChemicalBook
    The data in this table is sourced from UniChem at EBI.