Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H9NO/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
SMILES Cc1cc[n+](c(c1)C)[O-]
InChI Key KMQVCYOPBMKRKH-UHFFFAOYSA-N
Exact Mass 123.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMQVCYOPBMKRKH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KMQVCYOPBMKRKH-UHFFFAOYSA-N/CHMO0000593
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 2,4-dimethyl-1-oxidopyridin-1-ium
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29502328 surechembl
    501845 surechembl
    70733 pubchem
    978DN6CD4N fdasrs
    XUXMIP CCDC
    DTXSID00149948 comptox
    Molport-000-165-652 molport
    The data in this table is sourced from UniChem at EBI.