Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H18OS2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h9H,2-8H2,1H3
SMILES CCC(=C1SCCS1)C1CCCC(=O)C1
InChI Key LDEHBRRLPOXYNP-UHFFFAOYSA-N
Molecular Formula C12H18OS2
Exact Mass 242.401 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDEHBRRLPOXYNP-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/LDEHBRRLPOXYNP-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-[1-(1,3-dithiolan-2-ylidene)propyl]cyclohexan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083278 PubChem
    The data in this table is sourced from UniChem at EBI.