Lignin_cw_compound_252

Lignin_cw_compound_252 bmse010443 - Data

Lignin_cw_compound_252 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_252

View large 3D structure

Molecular Formula: C17H18O3

Natural Isotopic Abundance Mass: 270.32302

Mono-Isotopic Molecular Masses:

  • C12N14: 270.1255944441
  • C13N14: 287.1826266867
  • C12N15: 270.1255944441
  • C13N15: 287.1826266867

InChI string: InChI=1S/C17H18O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-10,12,18H,11,13H2,1H3/b8-5+

USDA_NMR_database: 252

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)