Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H18Cl4S2/c23-13-1-14(24)4-17(3-13)27-21-7-19(8-21,9-21)20-10-22(11-20,12-20)28-18-5-15(25)2-16(26)6-18/h1-6H,7-12H2
SMILES Clc1cc(SC23CC(C2)(C3)C23CC(C2)(C3)Sc2cc(Cl)cc(c2)Cl)cc(c1)Cl
InChI Key KGJVMZAWJCTKCI-UHFFFAOYSA-N
Molecular Formula C22H18Cl4S2
Exact Mass 488.320 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KGJVMZAWJCTKCI-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/KGJVMZAWJCTKCI-UHFFFAOYSA-N/Mass
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-11
Related Molecule
  • 1-(3,5-dichlorophenyl)sulfanyl-3-[3-(3,5-dichlorophenyl)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
    137331334 PubChem
    The data in this table is sourced from UniChem at EBI.