Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H5N5/c9-13-12-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
SMILES [N-]=[N+]=Nc1ccc2c(c1)nccn2
InChI Key OAPQCKMRAMPKHH-UHFFFAOYSA-N
Exact Mass 171.159 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OAPQCKMRAMPKHH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OAPQCKMRAMPKHH-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6-azidoquinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31448075 surechembl
    14662077 pubchem
    The data in this table is sourced from UniChem at EBI.