Lignin_cw_compound_126

Lignin_cw_compound_126 bmse010063 - Data

Lignin_cw_compound_126 synonyms

1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)ethanol; Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_126

View large 3D structure

Molecular Formula: C16H18O5

Natural Isotopic Abundance Mass: 290.31112

Mono-Isotopic Molecular Masses:

  • C12N14: 290.1154236883
  • C13N14: 306.1691010931
  • C12N15: 290.1154236883
  • C13N15: 306.1691010931

InChI string: InChI=1S/C16H18O5/c1-19-14-5-3-4-6-15(14)21-10-13(18)11-7-8-12(17)16(9-11)20-2/h3-9,13,17-18H,10H2,1-2H3/t13-/m1/s1

USDA_NMR_database: 126

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)