Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
SMILES Cc1cccc(c1OCCSc1nc2c([nH]1)cccc2)C
InChI Key VFDZGOPEFRPFRE-UHFFFAOYSA-N
Molecular Formula C17H18N2OS
Exact Mass 298.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VFDZGOPEFRPFRE-UHFFFAOYSA-N/NMR/13C/MeOD/100
License URL
Source https://www.chemotion-repository.net/inchikey/VFDZGOPEFRPFRE-UHFFFAOYSA-N/NMR/13C/MeOD/100
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-1H-benzimidazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2316542 chembl
    2254186 pubchem
    51042803 bindingdb
    51042807 bindingdb
    51042815 bindingdb
    Molport-001-919-493 molport
    The data in this table is sourced from UniChem at EBI.