Lignin_cw_compound_125

Lignin_cw_compound_125 bmse010062 - Data

Lignin_cw_compound_125 synonyms

1-(4-hydroxyphenyl)-2-phenoxyethanol

Wikipedia:

Graphical representations:

lignin_cw_compound_125

View large 3D structure

Molecular Formula: C14H14O3

Natural Isotopic Abundance Mass: 230.25916

Mono-Isotopic Molecular Masses:

  • C12N14: 230.0942943157
  • C13N14: 244.1412620449
  • C12N15: 230.0942943157
  • C13N15: 244.1412620449

InChI string: InChI=1S/C14H14O3/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h1-9,14-16H,10H2/t14-/m0/s1

USDA_NMR_database: 125

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)