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2-cyano-3-keto-3-(phenylamino)propionic acid 2,2,2-trifluoroethyl ester
SpectraBase Compound ID GpGNvKqs5ku
InChI InChI=1S/C12H9F3N2O3/c13-12(14,15)7-20-11(19)9(6-16)10(18)17-8-4-2-1-3-5-8/h1-5,9H,7H2,(H,17,18)
InChIKey YRPWXWIRXHQPNH-UHFFFAOYSA-N
Mol Weight 286.21 g/mol
Molecular Formula C12H9F3N2O3
Exact Mass 286.056527 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLxrlfXU7rm
Name 2-cyano-3-keto-3-(phenylamino)propionic acid 2,2,2-trifluoroethyl ester
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F3N2O3
InChI InChI=1S/C12H9F3N2O3/c13-12(14,15)7-20-11(19)9(6-16)10(18)17-8-4-2-1-3-5-8/h1-5,9H,7H2,(H,17,18)
InChIKey YRPWXWIRXHQPNH-UHFFFAOYSA-N
Literature Reference Author Y.X.LEI,D.CASARINI,G.CERIONI,Z.RAPPOPORT
Literature Reference Citation J.ORG.CHEM.,68,947(2003)
Literature Reference DOI 10.1021/jo020464a
Solvent CD3CN
Source File Reference UWLU22823