Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H16O2S2/c1-13-10-5-4-9(8-11(10)14-2)12-15-6-3-7-16-12/h4-5,8,12H,3,6-7H2,1-2H3
SMILES COc1cc(ccc1OC)C1SCCCS1
InChI Key BYSFFOIEDQTZBD-UHFFFAOYSA-N
Molecular Formula C12H16O2S2
Exact Mass 256.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYSFFOIEDQTZBD-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/BYSFFOIEDQTZBD-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-06-04
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-1,3-dithiane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30669513 surechembl
    8057984 surechembl
    11010592 pubchem
    DTXSID00451811 comptox
    The data in this table is sourced from UniChem at EBI.