Biological Magnetic Resonance Data Bank

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

Sinapic_acid_acetate synonyms

4-acetoxy-3,5-dimethoxy cinnamic acid


Graphical representations:


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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,