Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H14OS2/c1-9(13)10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2,4-5,8,12H,3,6-7H2,1H3
SMILES CC(=O)c1cccc(c1)C1SCCCS1
InChI Key PRBDSASHNJATKQ-UHFFFAOYSA-N
Molecular Formula C12H14OS2
Exact Mass 238.369 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRBDSASHNJATKQ-UHFFFAOYSA-N/Mass/GCMS
License URL
Source https://www.chemotion-repository.net/inchikey/PRBDSASHNJATKQ-UHFFFAOYSA-N/Mass/GCMS
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-[3-(1,3-dithian-2-yl)phenyl]ethanone
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427415 PubChem
    The data in this table is sourced from UniChem at EBI.