Lignin_cw_compound_130

Lignin_cw_compound_130 bmse010067 - Data

Lignin_cw_compound_130 synonyms

2-acetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

Wikipedia:

Graphical representations:

lignin_cw_compound_130

View large 3D structure

Molecular Formula: C13H16O6

Natural Isotopic Abundance Mass: 268.26254

Mono-Isotopic Molecular Masses:

  • C12N14: 268.0946882462
  • C13N14: 281.1383011376
  • C12N15: 268.0946882462
  • C13N15: 281.1383011376

InChI string: InChI=1S/C13H16O6/c1-7(19-8(2)14)12(15)9-5-10(17-3)13(16)11(6-9)18-4/h5-7,16H,1-4H3/t7-/m1/s1

USDA_NMR_database: 130

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)