Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H26S2/c1-17-3-7-19(8-4-17)25-23-11-21(12-23,13-23)22-14-24(15-22,16-22)26-20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
SMILES Cc1ccc(cc1)SC12CC(C1)(C2)C12CC(C1)(C2)Sc1ccc(cc1)C
InChI Key AUAIDTHVAFAXGQ-UHFFFAOYSA-N
Molecular Formula C24H26S2
Exact Mass 378.593 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AUAIDTHVAFAXGQ-UHFFFAOYSA-N/Mass.1
License URL
Source https://www.chemotion-repository.net/inchikey/AUAIDTHVAFAXGQ-UHFFFAOYSA-N/Mass.1
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-11
Related Molecule
  • 1-(4-methylphenyl)sulfanyl-3-[3-(4-methylphenyl)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
    137331335 PubChem
    The data in this table is sourced from UniChem at EBI.