Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3
SMILES CCNc1ccc(cc1)C=O
InChI Key QBGRAELMPIMNON-UHFFFAOYSA-N
Molecular Formula C9H11NO
Exact Mass 149.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QBGRAELMPIMNON-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QBGRAELMPIMNON-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(ethylamino)benzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36008969 eMolecules
    SCHEMBL5542224 SureChEMBL
    DTXSID20507763 EPA CompTox Dashboard
    ZINC000013346695 ZINC
    CB91042721 ChemicalBook
    12714578 PubChem
    The data in this table is sourced from UniChem at EBI.