Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H10N2/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-8H,12H2
SMILES Nc1ccccc1c1ccncc1
InChI Key ODRIUFNOBKDEJX-UHFFFAOYSA-N
Molecular Formula C11H10N2
Exact Mass 170.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODRIUFNOBKDEJX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ODRIUFNOBKDEJX-UHFFFAOYSA-N/CHMO0000595
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-06
Related Molecule
  • 2-pyridin-4-ylaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8208997689 Mcule
    13546446 PubChem
    DTXSID00543422 EPA CompTox Dashboard
    ZINC000026897742 ZINC
    SCHEMBL396362 SureChEMBL
    13192373 eMolecules
    The data in this table is sourced from UniChem at EBI.