Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Syringic Acid Acetate

Syringic_Acid_Acetate synonyms

4-acetoxy-3,5-dimethoxy benzoic acid


Graphical representations:


View large 3D structure

Molecular Formula: C11H12O6

Natural Isotopic Abundance Mass: 240.20938

Mono-Isotopic Molecular Masses:

  • C12N14: 240.0633881178
  • C13N14: 251.1002913336
  • C12N15: 240.0633881178
  • C13N15: 251.1002913336

InChI string: InChI=1S/C11H12O6/c1-6(12)17-10-8(15-2)4-7(11(13)14)5-9(10)16-3/h4-5H,1-3H3,(H,13,14)

USDA_NMR_database: 175

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,