Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H22O4/c1-13-9-17(23(25)26)5-7-19(13)21-11-16(4)22(12-15(21)3)20-8-6-18(24(27)28)10-14(20)2/h5-12H,1-4H3,(H,25,26)(H,27,28)
SMILES Cc1cc(c(cc1c1ccc(cc1C)C(=O)O)C)c1ccc(cc1C)C(=O)O
InChI Key VPBWWADABBZFND-UHFFFAOYSA-N
Molecular Formula C24H22O4
Exact Mass 374.429 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPBWWADABBZFND-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/VPBWWADABBZFND-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-24
Related Molecule
  • 4-[4-(4-carboxy-2-methylphenyl)-2,5-dimethylphenyl]-3-methylbenzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14950582 surechembl
    89569028 pubchem
    The data in this table is sourced from UniChem at EBI.