Acetylated Coniferylaldehyde

Acetylated Coniferylaldehyde bmse010073 - Data

Acetylated_coniferylaldehyde synonyms

4-acetoxy-3-methoxycinnamaldehyde

Wikipedia:

Graphical representations:

acetylated_coniferylaldehyde

View large 3D structure

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(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

USDA_NMR_database: 141

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)