Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H13ClO3/c1-10-9-13(7-8-14(10)16)19-12-5-3-11(4-6-12)15(17)18-2/h3-9H,1-2H3
SMILES COC(=O)c1ccc(cc1)Oc1ccc(c(c1)C)Cl
InChI Key FGEGMJOULJLOQR-UHFFFAOYSA-N
Molecular Formula C15H13ClO3
Exact Mass 276.715 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGEGMJOULJLOQR-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/FGEGMJOULJLOQR-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-19
Related Molecule
  • methyl 4-(4-chloro-3-methylphenoxy)benzoate
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427443 PubChem
    The data in this table is sourced from UniChem at EBI.