Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H18S2/c1-14-7-9-16(10-8-14)20-18-11-17(12-18,13-18)19-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
SMILES Cc1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key DWANMFCYEOMCOA-UHFFFAOYSA-N
Molecular Formula C18H18S2
Exact Mass 298.466 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWANMFCYEOMCOA-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/DWANMFCYEOMCOA-UHFFFAOYSA-N/Mass
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-28
Related Molecule
  • 1-(4-methylphenyl)sulfanyl-3-phenylsulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137333488 PubChem
    The data in this table is sourced from UniChem at EBI.