Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H22S2/c1-3-7-17(8-4-1)23-21-11-19(12-21,13-21)20-14-22(15-20,16-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2
SMILES c1ccc(cc1)SC12CC(C1)(C2)C12CC(C1)(C2)Sc1ccccc1
InChI Key UFJZAHXFSRPBMA-UHFFFAOYSA-N
Molecular Formula C22H22S2
Exact Mass 350.540 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFJZAHXFSRPBMA-UHFFFAOYSA-N/Mass.1
License URL
Source https://www.chemotion-repository.net/inchikey/UFJZAHXFSRPBMA-UHFFFAOYSA-N/Mass.1
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-11
Related Molecule
  • 1-phenylsulfanyl-3-(3-phenylsulfanyl-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
    14173144 pubchem
    The data in this table is sourced from UniChem at EBI.