Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3
SMILES CC(OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)OC(C)C)C
InChI Key CFLDWDVCLODTOS-UHFFFAOYSA-N
Molecular Formula C28H30O4
Exact Mass 430.535 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CFLDWDVCLODTOS-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CFLDWDVCLODTOS-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • propan-2-yl 4-[2,5-dimethyl-4-(4-propan-2-yloxycarbonylphenyl)phenyl]benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681762 PubChem
    The data in this table is sourced from UniChem at EBI.