Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)
SMILES Nc1nc2ccccc2nc1c1ccccc1
InChI Key ABTZHDQWMUXIFW-UHFFFAOYSA-N
Molecular Formula C14H11N3
Exact Mass 221.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABTZHDQWMUXIFW-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/ABTZHDQWMUXIFW-UHFFFAOYSA-N/CHMO0000593.2
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-21
Related Molecule
  • 3-phenylquinoxalin-2-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000003133978 ZINC
    J1.418.740E Nikkaji
    12231766 PubChem
    SCHEMBL384076 SureChEMBL
    The data in this table is sourced from UniChem at EBI.