Lignin_cw_compound_204

Lignin_cw_compound_204 bmse010131 - Data

Lignin_cw_compound_204 synonyms

1-(3,4-dimethoxyphenyl)-1-acetoxyethane

Wikipedia:

Graphical representations:

lignin_cw_compound_204

View large 3D structure

Molecular Formula: C12H16O4

Natural Isotopic Abundance Mass: 224.25304

Mono-Isotopic Molecular Masses:

  • C12N14: 224.104859002
  • C13N14: 236.1451170556
  • C12N15: 224.104859002
  • C13N15: 236.1451170556

InChI string: InChI=1S/C12H16O4/c1-8(16-9(2)13)10-5-6-11(14-3)12(7-10)15-4/h5-8H,1-4H3/t8-/m0/s1

USDA_NMR_database: 204

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)