Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-13-9-6-4-3-5-8(9)12-11(13)16/h3-6H,2,7H2,1H3,(H,12,16)
SMILES CCOC(=O)Cn1c(S)nc2c1cccc2
InChI Key IDNPLWDQYDXGMB-UHFFFAOYSA-N
Molecular Formula C11H12N2O2S
Exact Mass 236.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDNPLWDQYDXGMB-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/IDNPLWDQYDXGMB-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-30
Related Molecule
  • ethyl 2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL5402127 chembl
    680748 pubchem
    The data in this table is sourced from UniChem at EBI.