Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12N4/c17-15-16-18-10-14(11-6-2-1-3-7-11)20(16)13-9-5-4-8-12(13)19-15/h1-10H,(H2,17,19)
SMILES Nc1nc2ccccc2n2c1ncc2c1ccccc1
InChI Key LDKDBUVLGOHXSC-UHFFFAOYSA-N
Molecular Formula C16H12N4
Exact Mass 260.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDKDBUVLGOHXSC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LDKDBUVLGOHXSC-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 1-phenylimidazo[1,2-a]quinoxalin-4-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    58087448 PubChem: Thomson Pharma
    25253403 PubChem
    SCHEMBL2817520 SureChEMBL
    The data in this table is sourced from UniChem at EBI.