Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(cc1)c1ccc(cc1C)C(=O)OC
InChI Key JBHUSSAUBJVUJG-UHFFFAOYSA-N
Molecular Formula C24H22O4
Exact Mass 374.429 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JBHUSSAUBJVUJG-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/JBHUSSAUBJVUJG-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453821 PubChem
    The data in this table is sourced from UniChem at EBI.