BMRB

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_205

Lignin_cw_compound_205 synonyms

4-methoxybenzyl alcohol acetate

Wikipedia:

Graphical representations:

lignin_cw_compound_205

View large 3D structure

Molecular Formula: C10H12O3

Natural Isotopic Abundance Mass: 180.20048

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0786442515
  • C13N14: 190.1121926295
  • C12N15: 180.0786442515
  • C13N15: 190.1121926295

InChI string: InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

USDA_NMR_database: 205

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)