Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H12Cl4S2/c18-10-1-11(19)4-14(3-10)22-16-7-17(8-16,9-16)23-15-5-12(20)2-13(21)6-15/h1-6H,7-9H2
SMILES Clc1cc(SC23CC(C2)(C3)Sc2cc(Cl)cc(c2)Cl)cc(c1)Cl
InChI Key DHAJMGHBXKCZPF-UHFFFAOYSA-N
Molecular Formula C17H12Cl4S2
Exact Mass 422.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHAJMGHBXKCZPF-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/DHAJMGHBXKCZPF-UHFFFAOYSA-N/Mass
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-01
Related Molecule
  • 1,3-bis[(3,5-dichlorophenyl)sulfanyl]bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137321626 pubchem
    The data in this table is sourced from UniChem at EBI.