Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H24OS2/c1-4-6-7-12(10-11(3)15)13(5-2)14-16-8-9-17-14/h12H,4-10H2,1-3H3
SMILES CCCCC(C(=C1SCCS1)CC)CC(=O)C
InChI Key KDAUXNCFMLRQRP-UHFFFAOYSA-N
Molecular Formula C14H24OS2
Exact Mass 272.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KDAUXNCFMLRQRP-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/KDAUXNCFMLRQRP-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 4-[1-(1,3-dithiolan-2-ylidene)propyl]octan-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053742 pubchem
    The data in this table is sourced from UniChem at EBI.