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ETHYL-(3ARS,4ASR,5RS,6ASR,7ASR)-7-BENZYL-3-(P-CHLOROPHENYL)-5-CYANO-3A,4,4A,5,67,7A-OCTAHYDRO-CYCLOBUT-[B]-ISOXAZOLO-[4,5-E]-PYRIDIN-4A-CARBOXAMIDE
SpectraBase Compound ID K7QgkV8QZSH
InChI InChI=1S/C25H24ClN3O3/c1-2-31-24(30)25-13-20-22(17-8-10-19(26)11-9-17)28-32-23(20)29(21(25)12-18(25)14-27)15-16-6-4-3-5-7-16/h3-11,18,20-21,23H,2,12-13,15H2,1H3/t18-,20?,21?,23?,25-/m0/s1
InChIKey MTGOUMOQRYRZTH-SOHSAZPVSA-N
Mol Weight 449.94 g/mol
Molecular Formula C25H24ClN3O3
Exact Mass 449.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jA9WinA31X
Name ETHYL-(3ARS,4ASR,5RS,6ASR,7ASR)-7-BENZYL-3-(P-CHLOROPHENYL)-5-CYANO-3A,4,4A,5,67,7A-OCTAHYDRO-CYCLOBUT-[B]-ISOXAZOLO-[4,5-E]-PYRIDIN-4A-CARBOXAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24ClN3O3
InChI InChI=1S/C25H24ClN3O3/c1-2-31-24(30)25-13-20-22(17-8-10-19(26)11-9-17)28-32-23(20)29(21(25)12-18(25)14-27)15-16-6-4-3-5-7-16/h3-11,18,20-21,23H,2,12-13,15H2,1H3/t18-,20?,21?,23?,25-/m0/s1
InChIKey MTGOUMOQRYRZTH-SOHSAZPVSA-N
Literature Reference Author G.ADEMBRI,D.DONATI,S.FUSI,F.PONTICELLI
Literature Reference Citation HETEROCYCLES,26,3221(1987)
Literature Reference DOI 10.3987/R-1987-12-3221
Molecular Weight 449.937 g/mol
Solvent CDCl3
Source File Reference UWED25550