Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H7N3O/c10-9-8(5-13)11-6-3-1-2-4-7(6)12-9/h1-5H,(H2,10,12)
SMILES O=Cc1nc2ccccc2nc1N
InChI Key AXEMIQWNNYJUSS-UHFFFAOYSA-N
Molecular Formula C9H7N3O
Exact Mass 173.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AXEMIQWNNYJUSS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AXEMIQWNNYJUSS-UHFFFAOYSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-16
Related Molecule
  • 3-aminoquinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12427304 PubChem
    The data in this table is sourced from UniChem at EBI.