Lignin_cw_compound_295

Lignin_cw_compound_295 bmse010201 - Data

Lignin_cw_compound_295 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_295

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(18-9(2)14)13(15)10-5-6-11(16-3)12(7-10)17-4/h5-8H,1-4H3/t8-/m1/s1

USDA_NMR_database: 295

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)