Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2/c1-11-6-5-9-16-10-13(15-14(11)16)12-7-3-2-4-8-12/h2-10H,1H3
SMILES Cc1cccn2c1nc(c2)c1ccccc1
InChI Key CZYPXIUACURBEQ-UHFFFAOYSA-N
Molecular Formula C14H12N2
Exact Mass 208.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CZYPXIUACURBEQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CZYPXIUACURBEQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 8-methyl-2-phenylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    710412 eMolecules
    659642 PubChem
    SCHEMBL4837433 SureChEMBL
    MCULE-4695626931 Mcule
    ZINC000000073639 ZINC
    DTXSID70349756 EPA CompTox Dashboard
    39531 BindingDB
    J3.217.540F Nikkaji
    CHEMBL1310041 ChEMBL
    The data in this table is sourced from UniChem at EBI.