Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H4N2O/c7-5-6-3-1-2-4-8(6)9/h1-4H
SMILES N#Cc1cccc[n+]1[O-]
InChI Key XXDJXMMIVUCDGP-UHFFFAOYSA-N
Exact Mass 120.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXDJXMMIVUCDGP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XXDJXMMIVUCDGP-UHFFFAOYSA-N/CHMO0000595
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 1-oxidopyridin-1-ium-2-carbonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31536953 surechembl
    805958 surechembl
    75466 pubchem
    Molport-001-764-574 molport
    The data in this table is sourced from UniChem at EBI.