Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H14Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-7H,3-5H2,1-2H3
SMILES Clc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)Cl)C
InChI Key DGZQNPCSQDROIH-UHFFFAOYSA-N
Molecular Formula C15H14Cl2S2
Exact Mass 329.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:48:23.910568
MetadataModified 2024-09-08T00:48:23.910573
MetadataPublished 2023-03-23
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16196056 PubChem: Thomson Pharma
36560254 eMolecules
CB53155953 ChemicalBook
ZINC000038275257 ZINC
11121030 PubChem
PAMWUW CCDC
J1.018.049J Nikkaji
SCHEMBL4420882 SureChEMBL
The data in this table is sourced from UniChem at EBI.