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_3045 synonyms



Graphical representations:


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Molecular Formula: C11H14O3

Natural Isotopic Abundance Mass: 194.22706

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0942943157
  • C13N14: 205.1311975315
  • C12N15: 194.0942943157
  • C13N15: 205.1311975315

InChI string: InChI=1S/C11H14O3/c1-13-9-6-7-4-3-5-8(7)11(14-2)10(9)12/h6,12H,3-5H2,1-2H3

USDA_NMR_database: 3045

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,