Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H20Cl2S2/c23-15-1-5-17(6-2-15)25-21-9-19(10-21,11-21)20-12-22(13-20,14-20)26-18-7-3-16(24)4-8-18/h1-8H,9-14H2
SMILES Clc1ccc(cc1)SC12CC(C1)(C2)C12CC(C1)(C2)Sc1ccc(cc1)Cl
InChI Key PDIYSPWIMSKCME-UHFFFAOYSA-N
Molecular Formula C22H20Cl2S2
Exact Mass 419.430 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PDIYSPWIMSKCME-UHFFFAOYSA-N/Mass.1
License URL
Source https://www.chemotion-repository.net/inchikey/PDIYSPWIMSKCME-UHFFFAOYSA-N/Mass.1
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-11
Related Molecule
  • 1-(4-chlorophenyl)sulfanyl-3-[3-(4-chlorophenyl)sulfanyl-1-bicyclo[1.1.1]pentanyl]bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137331333 pubchem
    The data in this table is sourced from UniChem at EBI.