Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H16Br2O4/c1-23-17(21)11-3-5-15(13(7-11)9-19)16-6-4-12(18(22)24-2)8-14(16)10-20/h3-8H,9-10H2,1-2H3
SMILES COC(=O)c1ccc(c(c1)CBr)c1ccc(cc1CBr)C(=O)OC
InChI Key GWCNGHFRHSURHR-UHFFFAOYSA-N
Molecular Formula C18H16Br2O4
Exact Mass 456.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GWCNGHFRHSURHR-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/GWCNGHFRHSURHR-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 3-(bromomethyl)-4-[2-(bromomethyl)-4-methoxycarbonylphenyl]benzoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427291 PubChem
    SCHEMBL16938242 SureChEMBL
    The data in this table is sourced from UniChem at EBI.