Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3
SMILES CCOc1ccc(cc1)c1nc2c(s1)ccc(c2)Cl
InChI Key AJKDFBCTGMJQSV-UHFFFAOYSA-N
Molecular Formula C15H12ClNOS
Exact Mass 289.780 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AJKDFBCTGMJQSV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/AJKDFBCTGMJQSV-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 5-chloro-2-(4-ethoxyphenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944366 PubChem
    The data in this table is sourced from UniChem at EBI.