Lignin_cw_compound_202

Lignin_cw_compound_202 bmse010129 - Data

Lignin_cw_compound_202 synonyms

1-(4-acetoxy-3-methoxyphenyl)-1-acetoxyethane

Wikipedia:

Graphical representations:

lignin_cw_compound_202

View large 3D structure

Molecular Formula: C13H16O5

Natural Isotopic Abundance Mass: 252.26314

Mono-Isotopic Molecular Masses:

  • C12N14: 252.0997736241
  • C13N14: 265.1433865155
  • C12N15: 252.0997736241
  • C13N15: 265.1433865155

InChI string: InChI=1S/C13H16O5/c1-8(17-9(2)14)11-5-6-12(18-10(3)15)13(7-11)16-4/h5-8H,1-4H3/t8-/m0/s1

USDA_NMR_database: 202

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)