Biological Magnetic Resonance Data Bank

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

4-acetoxy Cinnamaldehyde

4_acetoxy_cinnamaldehyde synonyms

Coumaryl aldehyde acetate


Graphical representations:


View large 3D structure

Molecular Formula: C11H10O3

Natural Isotopic Abundance Mass: 190.1953

Mono-Isotopic Molecular Masses:

  • C12N14: 190.0629941873
  • C13N14: 201.0998974031
  • C12N15: 190.0629941873
  • C13N15: 201.0998974031

InChI string: InChI=1S/C11H10O3/c1-9(13)14-11-6-4-10(5-7-11)3-2-8-12/h2-8H,1H3/b3-2+

USDA_NMR_database: 223

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,