Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+
SMILES O/N=C/c1cccnc1
InChI Key YBKOPFQCLSPTPV-VMPITWQZSA-N
Exact Mass 122.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBKOPFQCLSPTPV-VMPITWQZSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YBKOPFQCLSPTPV-VMPITWQZSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-(pyridin-3-ylmethylidene)hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3632666 chembl
    29870038 surechembl
    982690 surechembl
    5324568 pubchem
    N53V9GSS65 fdasrs
    WOMXOL CCDC
    104887 brenda
    183783 brenda
    183784 brenda
    260058 brenda
    55043 brenda
    Molport-002-480-943 molport
    The data in this table is sourced from UniChem at EBI.