Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H8ClNS/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3
SMILES Clc1nc(sc1C)c1ccccc1
InChI Key BIIUGHHBWIEKNK-UHFFFAOYSA-N
Molecular Formula C10H8ClNS
Exact Mass 209.695 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000470
Version
Author Uwe Ritter
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-20
Related Molecule
  • 4-chloro-5-methyl-2-phenyl-1,3-thiazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3589816 SureChEMBL
    68704594 PubChem
    The data in this table is sourced from UniChem at EBI.