Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C26H24OS2/c27-24(21-13-6-2-7-14-21)19-23(20-11-4-1-5-12-20)25(22-15-8-3-9-16-22)26-28-17-10-18-29-26/h1-9,11-16,23H,10,17-19H2
SMILES O=C(c1ccccc1)CC(C(=C1SCCCS1)c1ccccc1)c1ccccc1
InChI Key ZUDKFLLVQMXJBO-UHFFFAOYSA-N
Molecular Formula C26H24OS2
Exact Mass 416.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZUDKFLLVQMXJBO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/ZUDKFLLVQMXJBO-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 4-(1,3-dithian-2-ylidene)-1,3,4-triphenylbutan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083257 PubChem
    The data in this table is sourced from UniChem at EBI.