Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H20O3S2/c1-4-10(14)8-9(2)11(12(15)16-3)13-17-6-5-7-18-13/h9H,4-8H2,1-3H3
SMILES CCC(=O)CC(C(=C1SCCCS1)C(=O)OC)C
InChI Key SLOZNFFLELWBBW-UHFFFAOYSA-N
Molecular Formula C13H20O3S2
Exact Mass 288.426 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SLOZNFFLELWBBW-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/SLOZNFFLELWBBW-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • methyl 2-(1,3-dithian-2-ylidene)-3-methyl-5-oxoheptanoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083264 PubChem
    The data in this table is sourced from UniChem at EBI.