Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H16O6/c1-20-14-9-6-12(17(19)22-3)10-15(14)23-13-7-4-11(5-8-13)16(18)21-2/h4-10H,1-3H3
SMILES COc1ccc(cc1Oc1ccc(cc1)C(=O)OC)C(=O)OC
InChI Key DJUWZELLSVEECO-UHFFFAOYSA-N
Molecular Formula C17H16O6
Exact Mass 316.305 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DJUWZELLSVEECO-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/DJUWZELLSVEECO-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-21
Related Molecule
  • methyl 4-methoxy-3-(4-methoxycarbonylphenoxy)benzoate
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    628971 pubchem
    The data in this table is sourced from UniChem at EBI.