Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_126 synonyms

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


Graphical representations:


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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,