Lignin_cw_compound_195

Lignin_cw_compound_195 bmse010122 - Data

Lignin_cw_compound_195 synonyms

1-(4-acetoxy-3,5-dimethoxyphenyl)-1-acetoxy ethane

Wikipedia:

Graphical representations:

lignin_cw_compound_195

View large 3D structure

Molecular Formula: C14H18O6

Natural Isotopic Abundance Mass: 282.28912

Mono-Isotopic Molecular Masses:

  • C12N14: 282.1103383104
  • C13N14: 296.1573060396
  • C12N15: 282.1103383104
  • C13N15: 296.1573060396

InChI string:

USDA_NMR_database: 195

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)