(2,5-dimethylphenyl) Pyridine-4-carboxylate

(2,5-dimethylphenyl) Pyridine-4-carboxylate bmse011294 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H13NO2

Natural Isotopic Abundance Mass: 227.25851999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 227.094628661
  • C13N14: 241.14159639300007
  • C12N15: 228.091663554
  • C13N15: 242.13863128600008

InChI string: InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3

IUPAC: (2,5-dimethylphenyl) pyridine-4-carboxylate

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)