Lignin_cw_compound_210

Lignin_cw_compound_210 bmse010137 - Data

Lignin_cw_compound_210 synonyms

1-(4-acetoxyphenyl)-1-acetoxy ethane

Wikipedia:

Graphical representations:

lignin_cw_compound_210

View large 3D structure

Molecular Formula: C11H14O3

Natural Isotopic Abundance Mass: 194.22706

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0942943157
  • C13N14: 205.1311975315
  • C12N15: 194.0942943157
  • C13N15: 205.1311975315

InChI string: InChI=1S/C11H14O3/c1-8(14-9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1-3H3/t8-/m1/s1

USDA_NMR_database: 210

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)