Lignin_cw_compound_191

Lignin_cw_compound_191 synonyms

methyl (4-acetoxy-3,5-dimethoxy) benzoate

Wikipedia:

Graphical representations:

lignin_cw_compound_191

View large 3D structure

Molecular Formula: C12H14O6

Natural Isotopic Abundance Mass: 254.23596

Mono-Isotopic Molecular Masses:

  • C12N14: 254.079038182
  • C13N14: 266.1192962356
  • C12N15: 254.079038182
  • C13N15: 266.1192962356

InChI string: InChI=1S/C12H14O6/c1-7(13)18-11-9(15-2)5-8(12(14)17-4)6-10(11)16-3/h5-6H,1-4H3

USDA_NMR_database: 191

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)