Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RUQDOYIAKHIMAN-DAAQNPAKSA-N/CHMO0000595
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:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20707-70-4 ACToR
    9561350 PubChem
    59336-59-3 ACToR
    13372-81-1 ACToR
    14967728 PubChem: Thomson Pharma
    SCHEMBL6124740 SureChEMBL
    ZINC000001679302 ZINC
    CB3359273 ChemicalBook
    ZEGPAG CCDC
    J1.012.244I Nikkaji
    J1.296.666K Nikkaji
    J213.885I Nikkaji
    CHEMBL589874 ChEMBL
    The data in this table is sourced from UniChem at EBI.