1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene

1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene bmse010056 - Data

Lignin_cw_compound_116 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_116

View large 3D structure

Molecular Formula: C13H16O4

Natural Isotopic Abundance Mass: 236.26374

Mono-Isotopic Molecular Masses:

  • C12N14: 236.104859002
  • C13N14: 249.1484718934
  • C12N15: 236.104859002
  • C13N15: 249.1484718934

InChI string: InChI=1S/C13H16O4/c1-5-6-10-7-11(15-3)13(17-9(2)14)12(8-10)16-4/h5,7-8H,1,6H2,2-4H3

USDA_NMR_database: 116

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)