Lignin_cw_compound_147

Lignin_cw_compound_147 bmse010079 - Data

Lignin_cw_compound_147 synonyms

1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanol

Wikipedia:

Graphical representations:

lignin_cw_compound_147

View large 3D structure

Molecular Formula: C17H20O5

Natural Isotopic Abundance Mass: 304.3377

Mono-Isotopic Molecular Masses:

  • C12N14: 304.1310737525
  • C13N14: 321.1881059951
  • C12N15: 304.1310737525
  • C13N15: 321.1881059951

InChI string: InChI=1S/C17H20O5/c1-19-14-6-4-5-7-16(14)22-11-13(18)12-8-9-15(20-2)17(10-12)21-3/h4-10,13,18H,11H2,1-3H3/t13-/m1/s1

USDA_NMR_database: 147

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)