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(3ARS,4ARS,5RS,6ASR,7ASR)-7-BENZYL-3-(PARA-CHLOROPHENYL)-5-CYANO-3A,4,4A,5,6,6A,7,7A-OCTAHYDRO-CYCLOBUT-[B]-ISOXAZOLO-[4,5-E]-PYRIDIN-4A-CARBOXAMIDE
SpectraBase Compound ID Ari9KmU2Wnd
InChI InChI=1S/C23H21ClN4O2/c24-17-8-6-15(7-9-17)20-18-11-23(22(26)29)16(12-25)10-19(23)28(21(18)30-27-20)13-14-4-2-1-3-5-14/h1-9,16,18-19,21H,10-11,13H2,(H2,26,29)/t16-,18?,19?,21?,23-/m0/s1
InChIKey FLZFYHHUBDZRGT-HYXKFPEDSA-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 68kafm7N4n1
Name (3ARS,4ARS,5RS,6ASR,7ASR)-7-BENZYL-3-(PARA-CHLOROPHENYL)-5-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)20-18-11-23(22(26)29)16(12-25)10-19(23)28(21(18)30-27-20)13-14-4-2-1-3-5-14/h1-9,16,18-19,21H,10-11,13H2,(H2,26,29)/t16-,18?,19?,21?,23-/m0/s1
InChIKey FLZFYHHUBDZRGT-HYXKFPEDSA-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 UWED25548