Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+
SMILES O/N=C/c1ccc(cc1)N(C)C
InChI Key UJYKADYTQMVUAG-JXMROGBWSA-N
Exact Mass 164.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UJYKADYTQMVUAG-JXMROGBWSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UJYKADYTQMVUAG-JXMROGBWSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL498513 ChEMBL
    DTXSID80425919 EPA CompTox Dashboard
    MABZOX CCDC
    J637.476J Nikkaji
    J918.906H Nikkaji
    6861449 PubChem
    16007981 PubChem: Thomson Pharma
    SCHEMBL5384609 SureChEMBL
    3294198 eMolecules
    ZINC000012341518 ZINC
    The data in this table is sourced from UniChem at EBI.