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/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES Oc1cccc(c1)C(=O)O
InChI Key IJFXRHURBJZNAO-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IJFXRHURBJZNAO-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/IJFXRHURBJZNAO-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 3-hydroxybenzoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30764 chebi
    3HB rcsb_pdb
    CHEMBL65369 chembl
    29378849 surechembl
    40078 surechembl
    7420 pubchem
    2ZFW40OJ7U fdasrs
    PD144440 probes_and_drugs
    BIDLOP CCDC
    1002 brenda
    13194 brenda
    3970 brenda
    43303 brenda
    3HB pdbe
    HMDB0002466 hmdb
    DTXSID6021610 comptox
    Molport-000-004-309 molport
    50336491 bindingdb
    The data in this table is sourced from UniChem at EBI.