Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H20OS2/c1-4-10(13)8-9(3)11(5-2)12-14-6-7-15-12/h9H,4-8H2,1-3H3
SMILES CCC(=C1SCCS1)C(CC(=O)CC)C
InChI Key HNEMFLNWZMGKBV-UHFFFAOYSA-N
Molecular Formula C12H20OS2
Exact Mass 244.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HNEMFLNWZMGKBV-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/HNEMFLNWZMGKBV-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 6-(1,3-dithiolan-2-ylidene)-5-methyloctan-3-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053740 pubchem
    The data in this table is sourced from UniChem at EBI.