Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H11NS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,11H,1,6-7H2
SMILES N#Cc1ccc(cc1)C1SCCCS1
InChI Key HJKDEHIETWUANJ-UHFFFAOYSA-N
Molecular Formula C11H11NS2
Exact Mass 221.342 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HJKDEHIETWUANJ-UHFFFAOYSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/HJKDEHIETWUANJ-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(1,3-dithian-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11850831 surechembl
    2726586 pubchem
    Molport-003-699-553 molport
    The data in this table is sourced from UniChem at EBI.