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(3ARS,4ARS,6SR,6ASR)-7-BENZYL-3-(PARA-CHLOROPHENYL)-6-CYANO-3A,4,4A,5,6,6A,7,7A-OCTAHYDRO-CYCLOBUT-[B]-ISOXAZOLO-[4,5-E]-PYRIDIN-4A-CARBOXAMIDE
SpectraBase Compound ID CXJUeviHtr0
InChI InChI=1S/C23H21ClN4O2/c24-17-8-6-15(7-9-17)19-18-11-23(22(26)29)10-16(12-25)20(23)28(21(18)30-27-19)13-14-4-2-1-3-5-14/h1-9,16,18,20-21H,10-11,13H2,(H2,26,29)/t16-,18?,20?,21?,23-/m1/s1
InChIKey MSRJIOWECFHHND-OBUAGPRKSA-N
Mol Weight 420.9 g/mol
Molecular Formula C23H21ClN4O2
Exact Mass 420.135304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3DjWXbNH6a
Name (3ARS,4ARS,6SR,6ASR)-7-BENZYL-3-(PARA-CHLOROPHENYL)-6-CYANO-3A,4,4A,5,6,6A,7,7A-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 C23H21ClN4O2
InChI InChI=1S/C23H21ClN4O2/c24-17-8-6-15(7-9-17)19-18-11-23(22(26)29)10-16(12-25)20(23)28(21(18)30-27-19)13-14-4-2-1-3-5-14/h1-9,16,18,20-21H,10-11,13H2,(H2,26,29)/t16-,18?,20?,21?,23-/m1/s1
InChIKey MSRJIOWECFHHND-OBUAGPRKSA-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 420.898 g/mol
Solvent DMSO-D6
Source File Reference UWED25549