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(1RS,7SR)-8-CYANO-N-CYCLOHEXYL-4-METHYL-3-OXO-6,6-DIPHENYL-2-AZATRICYCLO-[5.2.2.0(1,5)]-UNDECA-4,8,10-TRIENE-2-CARBOXAMIDE
SpectraBase Compound ID QclQUvS5su
InChI InChI=1S/C31H29N3O2/c1-21-27-30(34(28(21)35)29(36)33-25-15-9-4-10-16-25)18-17-26(22(19-30)20-32)31(27,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,17-19,25-26H,4,9-10,15-16H2,1H3,(H,33,36)/t26-,30-/m1/s1
InChIKey XWUNIWHISNKAQV-PDDLMNHVSA-N
Mol Weight 475.59 g/mol
Molecular Formula C31H29N3O2
Exact Mass 475.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hl33UWCIyEk
Name (1RS,7SR)-8-CYANO-N-CYCLOHEXYL-4-METHYL-3-OXO-6,6-DIPHENYL-2-AZATRICYCLO-[5.2.2.0(1,5)]-UNDECA-4,8,10-TRIENE-2-CARBOXAMIDE
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H29N3O2
InChI InChI=1S/C31H29N3O2/c1-21-27-30(34(28(21)35)29(36)33-25-15-9-4-10-16-25)18-17-26(22(19-30)20-32)31(27,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,17-19,25-26H,4,9-10,15-16H2,1H3,(H,33,36)/t26-,30-/m1/s1
InChIKey XWUNIWHISNKAQV-PDDLMNHVSA-N
Literature Reference Author T.R.MIHOVA,L.S.TRIFONOV,V.S.DIMITROV,A.S.ORAHOVATS,A.LINDEN, H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,74,1011(1991)
Literature Reference DOI 10.1002/hlca.19910740512
Molecular Weight 475.590 g/mol
Solvent CDCl3
Source File Reference UWVP4947