Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H14O4/c1-17-12-4-6-13(7-5-12)19-14-8-3-11(10-16)9-15(14)18-2/h3-10H,1-2H3
SMILES COc1ccc(cc1)Oc1ccc(cc1OC)C=O
InChI Key YUQXXVCREYJFBB-UHFFFAOYSA-N
Molecular Formula C15H14O4
Exact Mass 258.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YUQXXVCREYJFBB-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/YUQXXVCREYJFBB-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-21
Related Molecule
  • 3-methoxy-4-(4-methoxyphenoxy)benzaldehyde
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    54528257 PubChem
    The data in this table is sourced from UniChem at EBI.