Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H18OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
SMILES CC(CCC(=C1SCCS1)c1ccccc1)O
InChI Key OOECJNICVMRHHH-UHFFFAOYSA-N
Molecular Formula C14H18OS2
Exact Mass 266.422 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OOECJNICVMRHHH-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/OOECJNICVMRHHH-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 5-(1,3-dithiolan-2-ylidene)-5-phenylpentan-2-ol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083274 PubChem
    The data in this table is sourced from UniChem at EBI.