Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C20H20OS2/c1-15(21)14-18(16-8-4-2-5-9-16)19(20-22-12-13-23-20)17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3
SMILES CC(=O)CC(C(=C1SCCS1)c1ccccc1)c1ccccc1
InChI Key LRVYWKBWOILOMV-UHFFFAOYSA-N
Molecular Formula C20H20OS2
Exact Mass 340.502 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRVYWKBWOILOMV-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/LRVYWKBWOILOMV-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 5-(1,3-dithiolan-2-ylidene)-4,5-diphenylpentan-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053733 PubChem
    The data in this table is sourced from UniChem at EBI.