Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+
SMILES O/N=C/c1ccc(cc1)/C=N/O
InChI Key UFJKQCPYFKAUEO-NXZHAISVSA-N
Exact Mass 164.161 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFJKQCPYFKAUEO-NXZHAISVSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UFJKQCPYFKAUEO-NXZHAISVSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000095470206 ZINC
    160641489 PubChem: Thomson Pharma
    SCHEMBL4275683 SureChEMBL
    549964 eMolecules
    CHEMBL1078520 ChEMBL
    UJUKUF CCDC
    MCULE-3919887524 Mcule
    J1.350.208K Nikkaji
    CB83393899 ChemicalBook
    135482632 PubChem
    The data in this table is sourced from UniChem at EBI.