Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3
SMILES N#Cc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key MHUTZKFXGAZXEC-UHFFFAOYSA-N
Molecular Formula C15H10N2S
Exact Mass 250.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MHUTZKFXGAZXEC-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/MHUTZKFXGAZXEC-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-13
Related Molecule
  • 4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    83394346 PubChem
    The data in this table is sourced from UniChem at EBI.