Lignin_cw_compound_280

Lignin_cw_compound_280 bmse010187 - Data

Lignin_cw_compound_280 synonyms

dihydro-coniferyl alcohol diacetate

Wikipedia:

Graphical representations:

lignin_cw_compound_280

View large 3D structure

Molecular Formula: C14H18O5

Natural Isotopic Abundance Mass: 266.28972

Mono-Isotopic Molecular Masses:

  • C12N14: 266.1154236883
  • C13N14: 280.1623914175
  • C12N15: 266.1154236883
  • C13N15: 280.1623914175

InChI string: InChI=1S/C14H18O5/c1-10(15)18-8-4-5-12-6-7-13(19-11(2)16)14(9-12)17-3/h6-7,9H,4-5,8H2,1-3H3

USDA_NMR_database: 280

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)