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2-cyano-3-keto-3-[(4-methylphenyl)amino]propionic acid 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 1kaNJ28MU7L
InChI InChI=1S/C13H11F3N2O3/c1-8-2-4-9(5-3-8)18-11(19)10(6-17)12(20)21-7-13(14,15)16/h2-5,10H,7H2,1H3,(H,18,19)
InChIKey OJWKWNJHBTWAQQ-UHFFFAOYSA-N
Mol Weight 300.24 g/mol
Molecular Formula C13H11F3N2O3
Exact Mass 300.072177 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQk2XxrhRd0
Name 2-cyano-3-keto-3-[(4-methylphenyl)amino]propionic acid 2,2,2-trifluoroethyl ester
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3N2O3
InChI InChI=1S/C13H11F3N2O3/c1-8-2-4-9(5-3-8)18-11(19)10(6-17)12(20)21-7-13(14,15)16/h2-5,10H,7H2,1H3,(H,18,19)
InChIKey OJWKWNJHBTWAQQ-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 THF-D8
Source File Reference UWLU22789