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_191 synonyms

methyl (4-acetoxy-3,5-dimethoxy) benzoate


Graphical representations:


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Molecular Formula: C12H14O6

Natural Isotopic Abundance Mass: 254.23596

Mono-Isotopic Molecular Masses:

  • C12N14: 254.079038182
  • C13N14: 266.1192962356
  • C12N15: 254.079038182
  • C13N15: 266.1192962356

InChI string: InChI=1S/C12H14O6/c1-7(13)18-11-9(15-2)5-8(12(14)17-4)6-10(11)16-3/h5-6H,1-4H3

USDA_NMR_database: 191

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,