Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)
SMILES Cc1cc(ccc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
InChI Key OPHZSEABTWHYKH-UHFFFAOYSA-N
Molecular Formula C21H16O4
Exact Mass 332.349 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OPHZSEABTWHYKH-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/OPHZSEABTWHYKH-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • 4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26323620 surechembl
    138453823 pubchem
    Molport-051-510-797 molport
    The data in this table is sourced from UniChem at EBI.