Lignin_cw_compound_292

Lignin_cw_compound_292 bmse010199 - Data

Lignin_cw_compound_292 synonyms

1-(3,4,5-trimethoxyphenyl)-1-propanol

Wikipedia:

Graphical representations:

lignin_cw_compound_292

View large 3D structure

Molecular Formula: C12H18O4

Natural Isotopic Abundance Mass: 226.26892

Mono-Isotopic Molecular Masses:

  • C12N14: 226.1205090662
  • C13N14: 238.1607671198
  • C12N15: 226.1205090662
  • C13N15: 238.1607671198

InChI string: InChI=1/C12H18O4/c1-5-9(13)8-6-10(14-2)12(16-4)11(7-8)15-3/h6-7,9,13H,5H2,1-4H3

USDA_NMR_database: 292

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)