Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-9-21(19(11-17)13-25)15-3-5-16(6-4-15)22-10-8-18(24(28)30-2)12-20(22)14-26/h3-12H,13-14H2,1-2H3
SMILES COC(=O)c1ccc(c(c1)CBr)c1ccc(cc1)c1ccc(cc1CBr)C(=O)OC
InChI Key VPXMMGNSVHNFJC-UHFFFAOYSA-N
Molecular Formula C24H20Br2O4
Exact Mass 532.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPXMMGNSVHNFJC-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VPXMMGNSVHNFJC-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • methyl 3-(bromomethyl)-4-[4-[2-(bromomethyl)-4-methoxycarbonylphenyl]phenyl]benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681768 PubChem
    The data in this table is sourced from UniChem at EBI.