Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H20OS2/c1-3-4-5-11(8-10(2)13)9-12-14-6-7-15-12/h9,11H,3-8H2,1-2H3
SMILES CCCCC(C=C1SCCS1)CC(=O)C
InChI Key UYKAJJCGWWOEHW-UHFFFAOYSA-N
Molecular Formula C12H20OS2
Exact Mass 244.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UYKAJJCGWWOEHW-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/UYKAJJCGWWOEHW-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 4-(1,3-dithiolan-2-ylidenemethyl)octan-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083284 PubChem
    The data in this table is sourced from UniChem at EBI.