Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H16O2S2/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h3-7H2,1-2H3
SMILES CCC(=C1SCCS1)CCC(=O)OC
InChI Key WEWHOQGGMKXBGI-UHFFFAOYSA-N
Molecular Formula C10H16O2S2
Exact Mass 232.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEWHOQGGMKXBGI-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/WEWHOQGGMKXBGI-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • methyl 4-(1,3-dithiolan-2-ylidene)hexanoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083277 PubChem
    The data in this table is sourced from UniChem at EBI.