Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H20OS2/c18-15-9-4-8-14(12-15)16(13-6-2-1-3-7-13)17-19-10-5-11-20-17/h1-3,6-7,14H,4-5,8-12H2
SMILES O=C1CCCC(C1)C(=C1SCCCS1)c1ccccc1
InChI Key DBMRDQGRCWFNNO-UHFFFAOYSA-N
Molecular Formula C17H20OS2
Exact Mass 304.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBMRDQGRCWFNNO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/DBMRDQGRCWFNNO-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-[1,3-dithian-2-ylidene(phenyl)methyl]cyclohexan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083266 PubChem
    The data in this table is sourced from UniChem at EBI.