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METHYL-3-[1-[TERT.-BUTOXYCARBONYL-(TRIFLUOROACETYLAMINO)-METHYL]-2-METHYLPROPYL]-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLATE
SpectraBase Compound ID AhgCxEOVK4t
InChI InChI=1S/2C17H25F3N2O6/c2*1-8(2)11(9-7-10(28-22-9)13(23)26-6)12(14(24)27-16(3,4)5)21-15(25)17(18,19)20/h2*8,10-12H,7H2,1-6H3,(H,21,25)/t10-,11+,12+;10-,11-,12-/m10/s1
InChIKey VYUJZIWSPDPVDZ-IIZCVCHGSA-N
Mol Weight 820.78 g/mol
Molecular Formula C34H50F6N4O12
Exact Mass 820.332942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr30o56TiWC
Name METHYL-3-[1-[TERT.-BUTOXYCARBONYL-(TRIFLUOROACETYLAMINO)-METHYL]-2-METHYLPROPYL]-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H50F6N4O12
InChI InChI=1S/2C17H25F3N2O6/c2*1-8(2)11(9-7-10(28-22-9)13(23)26-6)12(14(24)27-16(3,4)5)21-15(25)17(18,19)20/h2*8,10-12H,7H2,1-6H3,(H,21,25)/t10-,11+,12+;10-,11-,12-/m10/s1
InChIKey VYUJZIWSPDPVDZ-IIZCVCHGSA-N
Literature Reference Author B.MENDLER,U.KAZMAIER,V.HUCH,M.VEITH
Literature Reference Citation ORG.LETTERS,7,2643(2005)
Literature Reference DOI 10.1021/ol050766+
Molecular Weight 820.781 g/mol
Sample ID 43012
Solvent CDCl3