Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H22S2/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3
SMILES CC(C1CCC2(CC1)SCCS2)(C)C
InChI Key VESOTKHMMXADSO-UHFFFAOYSA-N
Molecular Formula C12H22S2
Exact Mass 230.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VESOTKHMMXADSO-UHFFFAOYSA-N/Mass/GCMS
License URL
Source https://www.chemotion-repository.net/inchikey/VESOTKHMMXADSO-UHFFFAOYSA-N/Mass/GCMS
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 8-tert-butyl-1,4-dithiaspiro[4.5]decane
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12616133 PubChem
    WIKVUH CCDC
    J362.400E Nikkaji
    DTXSID70504444 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.