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 Coumaric Acid

Acetylated_coumaric_acid synonyms

(E)-4-acetoxycinnamic acid


Graphical representations:


View large 3D structure

Molecular Formula: C11H10O4

Natural Isotopic Abundance Mass: 206.1947

Mono-Isotopic Molecular Masses:

  • C12N14: 206.0579088094
  • C13N14: 217.0948120252
  • C12N15: 206.0579088094
  • C13N15: 217.0948120252

InChI string: InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+

USDA_NMR_database: 129

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,