Lignin_cw_compound_2048

Lignin_cw_compound_2048 bmse010481 - Data

Lignin_cw_compound_2048 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2048

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=1/C12H16O4/c1-4-15-9(2)16-11-6-5-10(8-13)7-12(11)14-3/h5-9H,4H2,1-3H3

USDA_NMR_database: 2048

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)