Ethyl 3-(4-fluorophenyl)-1,2-oxazole-5-carboxylate

Ethyl 3-(4-fluorophenyl)-1,2-oxazole-5-carboxylate bmse011483 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H10FNO3

Natural Isotopic Abundance Mass: 235.2111031999999

Mono-Isotopic Molecular Masses:

  • C12N14: 235.064471405
  • C13N14: 247.10472946100006
  • C12N15: 236.061506298
  • C13N15: 248.10176435400007

InChI string: InChI=1S/C12H10FNO3/c1-2-16-12(15)11-7-10(14-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3

IUPAC: ethyl 3-(4-fluorophenyl)-1,2-oxazole-5-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)