Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H12OS2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9/h6-7H,1-5H2
SMILES O=C1CCC(C1)C=C1SCCS1
InChI Key OQIFLRJENUJSFT-UHFFFAOYSA-N
Molecular Formula C9H12OS2
Exact Mass 200.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQIFLRJENUJSFT-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/OQIFLRJENUJSFT-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-(1,3-dithiolan-2-ylidenemethyl)cyclopentan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083283 pubchem
    The data in this table is sourced from UniChem at EBI.