Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C32H28O4/c1-35-31(33)27-15-11-25(12-16-27)29-19-21-3-7-23(29)9-5-22-4-8-24(10-6-21)30(20-22)26-13-17-28(18-14-26)32(34)36-2/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3
SMILES COC(=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)C(=O)OC
InChI Key CWGBQONHKMFZSZ-UHFFFAOYSA-N
Molecular Formula C32H28O4
Exact Mass 476.562 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWGBQONHKMFZSZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CWGBQONHKMFZSZ-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-03
Related Molecule
  • methyl 4-[11-(4-methoxycarbonylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168008331 pubchem
    The data in this table is sourced from UniChem at EBI.