Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H26OS2/c1-3-4-9-17(14-15(2)20)18(16-10-6-5-7-11-16)19-21-12-8-13-22-19/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
SMILES CCCCC(C(=C1SCCCS1)c1ccccc1)CC(=O)C
InChI Key UOHJUSHNULFLRZ-UHFFFAOYSA-N
Molecular Formula C19H26OS2
Exact Mass 334.539 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOHJUSHNULFLRZ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/UOHJUSHNULFLRZ-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 4-[1,3-dithian-2-ylidene(phenyl)methyl]octan-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083261 pubchem
    The data in this table is sourced from UniChem at EBI.