Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3
SMILES Cc1nc(C)cc(c1)c1ccncc1N
InChI Key KKCLKIWLYCRTCT-UHFFFAOYSA-N
Exact Mass 199.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KKCLKIWLYCRTCT-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KKCLKIWLYCRTCT-UHFFFAOYSA-N/CHMO0000595
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 4-(2,6-dimethylpyridin-4-yl)pyridin-3-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877844 pubchem
    The data in this table is sourced from UniChem at EBI.