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[(1S,2R,5S)-6-BENZYL-8-METHYL-7,9-DIOXO-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL]-(2R)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOATE

View entire compound with spectra: 1 NMR

[(1S,2R,5S)-6-BENZYL-8-METHYL-7,9-DIOXO-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL]-(2R)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOATE
SpectraBase Compound ID 7s6Krnts4IH
InChI InChI=1S/C25H25F3N2O5/c1-29-20-19(35-23(33)24(34-2,25(26,27)28)17-11-7-4-8-12-17)14-13-18(21(29)31)30(22(20)32)15-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3/t18-,19+,20+,24+/m0/s1
InChIKey VCQORACKWVYEDI-UECWXEIQSA-N
Mol Weight 490.48 g/mol
Molecular Formula C25H25F3N2O5
Exact Mass 490.171556 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hd6sOGgFjop
Name [(1S,2R,5S)-6-BENZYL-8-METHYL-7,9-DIOXO-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL]-(2R)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25F3N2O5
InChI InChI=1S/C25H25F3N2O5/c1-29-20-19(35-23(33)24(34-2,25(26,27)28)17-11-7-4-8-12-17)14-13-18(21(29)31)30(22(20)32)15-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3/t18-,19+,20+,24+/m0/s1
InChIKey VCQORACKWVYEDI-UECWXEIQSA-N
Literature Reference Author M.WEIGL,S.BEDUERFTIG,C.A.MAIER,B.WUENSCH
Literature Reference Citation BIOORG.MED.CHEM.,10,2245(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00043-3
Solvent CDCl3
Source File Reference UWVN28513