Lignin_cw_compound_1027

Lignin_cw_compound_1027 bmse010281 - Data

Lignin_cw_compound_1027 synonyms

Acetic acid 2-methoxy-4-[2-(2-methoxyphenoxy) acetyl] phenyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_1027

View large 3D structure

Molecular Formula: C18H18O6

Natural Isotopic Abundance Mass: 330.33192

Mono-Isotopic Molecular Masses:

  • C12N14: 330.1103383104
  • C13N14: 348.1707253908
  • C12N15: 330.1103383104
  • C13N15: 348.1707253908

InChI string: InChI=1S/C18H18O6/c1-12(19)24-17-9-8-13(10-18(17)22-3)14(20)11-23-16-7-5-4-6-15(16)21-2/h4-10H,11H2,1-3H3

USDA_NMR_database: 1027

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)