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

Ethyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate bmse011326 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H13NO3

Natural Isotopic Abundance Mass: 231.24721999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 231.089543281
  • C13N14: 244.13315617500007
  • C12N15: 232.086578174
  • C13N15: 245.13019106800007

InChI string: InChI=1S/C13H13NO3/c1-3-16-13(15)12-8-11(14-17-12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3

IUPAC: ethyl 3-(4-methylphenyl)-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)