Acetylated Ferulic Acid

Acetylated Ferulic Acid bmse010048 - Data

Acetylated_ferulic_acid synonyms

4-acetoxy-3-methoxycinnamic acid

Wikipedia:

Graphical representations:

Acetylated_ferulic_acid

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, https://www.nature.com/articles/sdata201773)