Sinapic Acid Acetate

Sinapic Acid Acetate bmse010106 - Data

Sinapic_acid_acetate synonyms

4-acetoxy-3,5-dimethoxy cinnamic acid

Wikipedia:

Graphical representations:

Sinapic_acid_acetate

View large 3D structure

Molecular Formula: C13H14O6

Natural Isotopic Abundance Mass: 266.24666

Mono-Isotopic Molecular Masses:

  • C12N14: 266.079038182
  • C13N14: 279.1226510734
  • C12N15: 266.079038182
  • C13N15: 279.1226510734

InChI string: InChI=1S/C13H14O6/c1-8(14)19-13-10(17-2)6-9(4-5-12(15)16)7-11(13)18-3/h4-7H,1-3H3,(H,15,16)/b5-4+

USDA_NMR_database: 178

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)