Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+
SMILES O/N=C/c1ccc(cc1)[N+](=O)[O-]
InChI Key WTLPAVBACRIHHC-VMPITWQZSA-N
Exact Mass 166.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WTLPAVBACRIHHC-VMPITWQZSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WTLPAVBACRIHHC-VMPITWQZSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    NITBAL CCDC
    16130197 PubChem: Thomson Pharma
    SCHEMBL189629 SureChEMBL
    712836 eMolecules
    ZINC000100015059 ZINC
    CB5195657 ChemicalBook
    5374046 PubChem
    CHEMBL2420345 ChEMBL
    The data in this table is sourced from UniChem at EBI.