Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H22OS2/c1-2-18(21-23-13-14-24-21)19(16-9-5-3-6-10-16)15-20(22)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3
SMILES CCC(=C1SCCS1)C(c1ccccc1)CC(=O)c1ccccc1
InChI Key FFNUZHPVLBYLFF-UHFFFAOYSA-N
Molecular Formula C21H22OS2
Exact Mass 354.529 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FFNUZHPVLBYLFF-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/FFNUZHPVLBYLFF-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 4-(1,3-dithiolan-2-ylidene)-1,3-diphenylhexan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053743 pubchem
    The data in this table is sourced from UniChem at EBI.