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METHYL-(2R)-(3-BUTENYL-[[(2S)-1-(2,2,2-TRIFLUOROACETYL)-TETRAHYDRO-1H-PYRROL-2-YL]-CARBONYL]-AMINO)-3-PHENYLPROPANOATE
SpectraBase Compound ID 8aGSRSpVAQi
InChI InChI=1S/C21H25F3N2O4/c1-3-4-12-25(17(19(28)30-2)14-15-9-6-5-7-10-15)18(27)16-11-8-13-26(16)20(29)21(22,23)24/h3,5-7,9-10,16-17H,1,4,8,11-14H2,2H3/t16-,17-/m1/s1
InChIKey BURAWCDERJZXKP-IAGOWNOFSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H25F3N2O4
Exact Mass 426.176642 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wXJDZeilcH
Name METHYL-(2R)-(3-BUTENYL-[[(2S)-1-(2,2,2-TRIFLUOROACETYL)-TETRAHYDRO-1H-PYRROL-2-YL]-CARBONYL]-AMINO)-3-PHENYLPROPANOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25F3N2O4
InChI InChI=1S/C21H25F3N2O4/c1-3-4-12-25(17(19(28)30-2)14-15-9-6-5-7-10-15)18(27)16-11-8-13-26(16)20(29)21(22,23)24/h3,5-7,9-10,16-17H,1,4,8,11-14H2,2H3/t16-,17-/m1/s1
InChIKey BURAWCDERJZXKP-IAGOWNOFSA-N
Literature Reference Author A.R.KATRITZKY,N.KIRICHENKO,B.V.ROGOVOY,H.Y.HE
Literature Reference Citation J.ORG.CHEM.,68,9088(2003)
Literature Reference DOI 10.1021/jo026622f
Solvent CDCl3
Source File Reference UWSI22818