Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H20S2/c1-3-7-16(8-4-1)11-20-18-13-19(14-18,15-18)21-12-17-9-5-2-6-10-17/h1-10H,11-15H2
SMILES c1ccc(cc1)CSC12CC(C1)(C2)SCc1ccccc1
InChI Key GXKYJSRHQMPAPZ-UHFFFAOYSA-N
Molecular Formula C19H20S2
Exact Mass 312.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXKYJSRHQMPAPZ-UHFFFAOYSA-N/Mass.1
License URL
Source https://www.chemotion-repository.net/inchikey/GXKYJSRHQMPAPZ-UHFFFAOYSA-N/Mass.1
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-28
Related Molecule
  • 1,3-bis(benzylsulfanyl)bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137333487 pubchem
    The data in this table is sourced from UniChem at EBI.