Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3,4,5-Trimethoxybenzoic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C10H12O5

Natural Isotopic Abundance Mass: 212.19927999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 212.068473484
  • C13N14: 222.10202186400005
  • C12N15: 212.068473484
  • C13N15: 222.10202186400005

InChI string: InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

IUPAC: 3,4,5-Trimethoxybenzoic acid


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,