Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C25H22OS2/c26-23(20-12-6-2-7-13-20)18-22(19-10-4-1-5-11-19)24(25-27-16-17-28-25)21-14-8-3-9-15-21/h1-15,22H,16-18H2
SMILES O=C(c1ccccc1)CC(C(=C1SCCS1)c1ccccc1)c1ccccc1
InChI Key GEPFNJDSCKCSTO-UHFFFAOYSA-N
Molecular Formula C25H22OS2
Exact Mass 402.572 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GEPFNJDSCKCSTO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/GEPFNJDSCKCSTO-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 4-(1,3-dithiolan-2-ylidene)-1,3,4-triphenylbutan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053734 pubchem
    The data in this table is sourced from UniChem at EBI.