Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H14Cl2O2S2/c1-8-10(6-14(16)20-8)12(18)4-3-5-13(19)11-7-15(17)21-9(11)2/h6-7H,3-5H2,1-2H3
SMILES O=C(c1cc(sc1C)Cl)CCCC(=O)c1cc(sc1C)Cl
InChI Key YRYNFVOSQUJGMT-UHFFFAOYSA-N
Molecular Formula C15H14Cl2O2S2
Exact Mass 361.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRYNFVOSQUJGMT-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/YRYNFVOSQUJGMT-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-23
Related Molecule
  • 1,5-bis(5-chloro-2-methylthiophen-3-yl)pentane-1,5-dione
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16833803 PubChem: Thomson Pharma
    SCHEMBL13602654 SureChEMBL
    11728116 PubChem
    ZINC000034649941 ZINC
    The data in this table is sourced from UniChem at EBI.