Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

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
MetadataCreated 2024-09-08T00:48:46.146168
MetadataModified 2024-09-08T00:48:46.146172
MetadataPublished 2023-03-23
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL13602654 SureChEMBL
16833803 PubChem: Thomson Pharma
ZINC000034649941 ZINC
11728116 PubChem
The data in this table is sourced from UniChem at EBI.