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METHYL-(1RS,7SR)-2-N-(CYCLOHEXYLCARBAMOYL)-4-METHYL-3-OXO-6,6-DIPHENYL-2-AZATRICYCLO-[5.2.2.0(1,5)]-UNDECA-4,8,10-TRIENE-8-CARBOXYLATE
SpectraBase Compound ID 9RNf3oxghCe
InChI InChI=1S/C32H32N2O4/c1-21-27-31(34(28(21)35)30(37)33-24-16-10-5-11-17-24)19-18-26(25(20-31)29(36)38-2)32(27,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,18-20,24,26H,5,10-11,16-17H2,1-2H3,(H,33,37)/t26-,31-/m1/s1
InChIKey XKVSVTSSZXSZQT-MXBOTTGLSA-N
Mol Weight 508.6 g/mol
Molecular Formula C32H32N2O4
Exact Mass 508.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXEASh41Euq
Name METHYL-(1RS,7SR)-2-N-(CYCLOHEXYLCARBAMOYL)-4-METHYL-3-OXO-6,6-DIPHENYL-2-AZATRICYCLO-[5.2.2.0(1,5)]-UNDECA-4,8,10-TRIENE-8-CARBOXYLATE
Compound Number 17B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32N2O4
InChI InChI=1S/C32H32N2O4/c1-21-27-31(34(28(21)35)30(37)33-24-16-10-5-11-17-24)19-18-26(25(20-31)29(36)38-2)32(27,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,18-20,24,26H,5,10-11,16-17H2,1-2H3,(H,33,37)/t26-,31-/m1/s1
InChIKey XKVSVTSSZXSZQT-MXBOTTGLSA-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 508.617 g/mol
Solvent CDCl3
Source File Reference UWVP4948