Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Paeonol synonyms


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Molecular Formula: C9H10O3

Natural Isotopic Abundance Mass: 166.1739

Mono-Isotopic Molecular Masses:

  • C12N14: 166.06299418
  • C13N14: 175.093187722
  • C12N15: 166.06299418
  • C13N15: 175.093187722

InChI string: InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

IUPAC: 1-(2-Hydroxy-4-methoxyphenyl)ethanone

PubChem Compound (CID): 11092

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,