Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Acetylated Ferulic Acid

Acetylated_ferulic_acid synonyms

4-acetoxy-3-methoxycinnamic acid


Graphical representations:


View large 3D structure

Molecular Formula: C12H12O5

Natural Isotopic Abundance Mass: 236.22068

Mono-Isotopic Molecular Masses:

  • C12N14: 236.0684734957
  • C13N14: 248.1087315493
  • C12N15: 236.0684734957
  • C13N15: 248.1087315493

InChI string: InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+

USDA_NMR_database: 108

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,