Lignin_cw_compound_146

Lignin_cw_compound_146 bmse010078 - Data

Lignin_cw_compound_146 synonyms

2-(4-Acetyl-2-methoxyphenoxy)-1-(3,4-dimethoxyphenyl)ethanone

Wikipedia:

Graphical representations:

lignin_cw_compound_146

View large 3D structure

Molecular Formula: C19H20O6

Natural Isotopic Abundance Mass: 344.3585

Mono-Isotopic Molecular Masses:

  • C12N14: 344.1259883746
  • C13N14: 363.1897302928
  • C12N15: 344.1259883746
  • C13N15: 363.1897302928

InChI string: InChI=1S/C19H20O6/c1-12(20)13-5-8-17(19(9-13)24-4)25-11-15(21)14-6-7-16(22-2)18(10-14)23-3/h5-10H,11H2,1-4H3

USDA_NMR_database: 146

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)