Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Methyl 4-acetoxycinnamate

Acetylated_methyl_coumarate synonyms

acetylated methyl coumarate


Graphical representations:


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Molecular Formula: C12H12O4

Natural Isotopic Abundance Mass: 220.22128

Mono-Isotopic Molecular Masses:

  • C12N14: 220.0735588736
  • C13N14: 232.1138169272
  • C12N15: 220.0735588736
  • C13N15: 232.1138169272

InChI string: InChI=1S/C12H12O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-8H,1-2H3/b8-5+

USDA_NMR_database: 148

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,