Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H12N2OS/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,16,17)
SMILES O=C(c1ccccc1)CSc1nc2c([nH]1)cccc2
InChI Key NRCVVKRZQAPHQO-UHFFFAOYSA-N
Molecular Formula C15H12N2OS
Exact Mass 268.334 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NRCVVKRZQAPHQO-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/NRCVVKRZQAPHQO-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenylethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL147345 chembl
    416615 pubchem
    XEBWEI CCDC
    269564 brenda
    50118378 bindingdb
    Molport-000-479-170 molport
    The data in this table is sourced from UniChem at EBI.