Lignin_cw_compound_27

Lignin_cw_compound_27 bmse010018 - Data

Lignin_cw_compound_27 synonyms

1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone

Wikipedia:

Graphical representations:

lignin_cw_compound_27

View large 3D structure

Molecular Formula: C19H20O7

Natural Isotopic Abundance Mass: 360.3579

Mono-Isotopic Molecular Masses:

  • C12N14: 360.1209029967
  • C13N14: 379.1846449149
  • C12N15: 360.1209029967
  • C13N15: 379.1846449149

InChI string: InChI=1S/C19H20O7/c1-12(20)26-19-17(23-3)9-13(10-18(19)24-4)14(21)11-25-16-8-6-5-7-15(16)22-2/h5-10H,11H2,1-4H3

USDA_NMR_database: 27

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)