Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H16OS2/c1-2-4-13(5-3-1)12-17-15-8-6-14(7-9-15)16-18-10-11-19-16/h1-9,16H,10-12H2
SMILES C1CSC(S1)c1ccc(cc1)OCc1ccccc1
InChI Key HORLQPCIJLDSJO-UHFFFAOYSA-N
Molecular Formula C16H16OS2
Exact Mass 288.428 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HORLQPCIJLDSJO-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/HORLQPCIJLDSJO-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(4-phenylmethoxyphenyl)-1,3-dithiolane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9778622 surechembl
    2743380 pubchem
    Molport-002-923-659 molport
    The data in this table is sourced from UniChem at EBI.