Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H
SMILES n1ccc(cc1)c1ccc(cc1)c1ccncc1
InChI Key MAWKLXRVKVOYLR-UHFFFAOYSA-N
Molecular Formula C16H12N2
Exact Mass 232.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MAWKLXRVKVOYLR-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/MAWKLXRVKVOYLR-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(4-pyridin-4-ylphenyl)pyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135626 surechembl
    5250442 pubchem
    OXUHUM CCDC
    Molport-035-683-956 molport
    The data in this table is sourced from UniChem at EBI.