Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
SMILES c1ccc(cc1)c1nc2c(s1)cccc2
InChI Key XBHOUXSGHYZCNH-UHFFFAOYSA-N
Molecular Formula C13H9NS
Exact Mass 211.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XBHOUXSGHYZCNH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XBHOUXSGHYZCNH-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-phenyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2272273 chembl
    30988131 surechembl
    94005 surechembl
    13439 pubchem
    FO573G4BGT fdasrs
    VAVDON CCDC
    151025 brenda
    Molport-000-861-022 molport
    The data in this table is sourced from UniChem at EBI.