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2-cyano-3-keto-3-[(4-methoxyphenyl)amino]propionic acid 2,2,2-trifluoroethyl ester
SpectraBase Compound ID IMDiwhIpgbh
InChI InChI=1S/C13H11F3N2O4/c1-21-9-4-2-8(3-5-9)18-11(19)10(6-17)12(20)22-7-13(14,15)16/h2-5,10H,7H2,1H3,(H,18,19)
InChIKey QKFOPMTXYVFIQF-UHFFFAOYSA-N
Mol Weight 316.24 g/mol
Molecular Formula C13H11F3N2O4
Exact Mass 316.067091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FDl9dwV1YT
Name 2-cyano-3-keto-3-[(4-methoxyphenyl)amino]propionic acid 2,2,2-trifluoroethyl ester
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3N2O4
InChI InChI=1S/C13H11F3N2O4/c1-21-9-4-2-8(3-5-9)18-11(19)10(6-17)12(20)22-7-13(14,15)16/h2-5,10H,7H2,1H3,(H,18,19)
InChIKey QKFOPMTXYVFIQF-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
Molecular Weight 316.237 g/mol
Solvent DMF-D7
Source File Reference UWLU22832