Lignin_cw_compound_290

Lignin_cw_compound_290 bmse010197 - Data

Lignin_cw_compound_290 synonyms

1-(3,5-dimethoxy-4-hydroxy)-propanol

Wikipedia:

Graphical representations:

lignin_cw_compound_290

View large 3D structure

Molecular Formula: C11H16O4

Natural Isotopic Abundance Mass: 212.24234

Mono-Isotopic Molecular Masses:

  • C12N14: 212.104859002
  • C13N14: 223.1417622178
  • C12N15: 212.104859002
  • C13N15: 223.1417622178

InChI string: InChI=1S/C11H16O4/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,8,12-13H,4H2,1-3H3/t8-/m0/s1

USDA_NMR_database: 290

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)