Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2OS2/c1-19-12-6-8-13(9-7-12)20-10-11-21-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
SMILES COc1ccc(cc1)SCCSc1nc2c([nH]1)cccc2
InChI Key RVXSFTUXMYYSCT-UHFFFAOYSA-N
Molecular Formula C16H16N2OS2
Exact Mass 316.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVXSFTUXMYYSCT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/RVXSFTUXMYYSCT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-05
Related Molecule
  • 2-[2-(4-methoxyphenyl)sulfanylethylsulfanyl]-1H-benzimidazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4203334 chembl
    76853105 pubchem
    REFPAW CCDC
    The data in this table is sourced from UniChem at EBI.