Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
SMILES COC(=O)c1cccc(c1)C(=O)O
InChI Key WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula C9H8O4
Exact Mass 180.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WMZNGTSLFSJHMZ-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/WMZNGTSLFSJHMZ-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 3-methoxycarbonylbenzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30262601 surechembl
    39797 surechembl
    601880 pubchem
    2PQ3SEG88M fdasrs
    75742 brenda
    Molport-000-004-897 molport
    The data in this table is sourced from UniChem at EBI.