Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H24N2O6S2/c1-7-23-15(21)11-9-14(26-18(28)20(5)6)12(16(22)24-8-2)10-13(11)25-17(27)19(3)4/h9-10H,7-8H2,1-6H3
SMILES CCOC(=O)c1cc(OC(=S)N(C)C)c(cc1OC(=S)N(C)C)C(=O)OCC
InChI Key MPVDFULDOTUMJO-UHFFFAOYSA-N
Molecular Formula C18H24N2O6S2
Exact Mass 428.523 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPVDFULDOTUMJO-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/MPVDFULDOTUMJO-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • diethyl 2,5-bis(dimethylcarbamothioyloxy)benzene-1,4-dicarboxylate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2508212 surechembl
    560391 pubchem
    OGIGUJ CCDC
    The data in this table is sourced from UniChem at EBI.