Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H/b7-4+,10-8+
SMILES O/N=C/C=C/c1ccccc1
InChI Key RUQDOYIAKHIMAN-DAAQNPAKSA-N
Exact Mass 147.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUQDOYIAKHIMAN-DAAQNPAKSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RUQDOYIAKHIMAN-DAAQNPAKSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL589874 chembl
    6124740 surechembl
    9561350 pubchem
    ZEGPAG CCDC
    260180 brenda
    Molport-000-141-885 molport
    The data in this table is sourced from UniChem at EBI.