Lignin_cw_compound_196

Lignin_cw_compound_196 bmse010123 - Data

Lignin_cw_compound_196 synonyms

Acetylated Sinapic acid methyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_196

View large 3D structure

Molecular Formula: C14H16O6

Natural Isotopic Abundance Mass: 280.27324

Mono-Isotopic Molecular Masses:

  • C12N14: 280.0946882462
  • C13N14: 294.1416559754
  • C12N15: 280.0946882462
  • C13N15: 294.1416559754

InChI string: InChI=1S/C14H16O6/c1-9(15)20-14-11(17-2)7-10(8-12(14)18-3)5-6-13(16)19-4/h5-8H,1-4H3/b6-5+

USDA_NMR_database: 196

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)