Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H18O4/c1-13-11-17(21(23)24)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22(25)26)12-14(20)2/h3-12H,1-2H3,(H,23,24)(H,25,26)
SMILES Cc1cc(ccc1c1ccc(cc1)c1ccc(cc1C)C(=O)O)C(=O)O
InChI Key FQIBTEMKVHZJKB-UHFFFAOYSA-N
Molecular Formula C22H18O4
Exact Mass 346.376 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FQIBTEMKVHZJKB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FQIBTEMKVHZJKB-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-16
Related Molecule
  • 4-[4-(4-carboxy-2-methylphenyl)phenyl]-3-methylbenzoic acid
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145711939 pubchem
    Molport-047-948-711 molport
    The data in this table is sourced from UniChem at EBI.