Dataset

one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)

dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)

Chemical Information

molecular Image
InChI InChI=1S/C19H13N3/c1-22-18(16-6-2-14(12-20)3-7-16)10-11-19(22)17-8-4-15(13-21)5-9-17/h2-11H,1H3
SMILES N#Cc1ccc(cc1)c1ccc(n1C)c1ccc(cc1)C#N
InChI Key NTKHPGKWBPZREG-UHFFFAOYSA-N
Molecular Formula C19H13N3
Exact Mass 283.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NTKHPGKWBPZREG-UHFFFAOYSA-N/CHMO0000592.1
License URL
Source https://www.chemotion-repository.net/inchikey/NTKHPGKWBPZREG-UHFFFAOYSA-N/CHMO0000592.1
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 4-[5-(4-cyanophenyl)-1-methylpyrrol-2-yl]benzonitrile
    • Field Value
    Measurement Technique one-dimensional nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12381655 PubChem
    ZINC000196190911 ZINC
    The data in this table is sourced from UniChem at EBI.