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TERT.-BUTYL-(1S,8R,10S)-10-(2-CYANOETHYL)-9-AZATRICYCLO-[6.2.1.0(2,7)]-UNDECA-2,4,6-TRIENE-9-CARBOXYLATE
SpectraBase Compound ID HrnTbvfsDNF
InChI InChI=1S/2C18H22N2O2/c2*1-18(2,3)22-17(21)20-15(9-6-10-19)14-11-16(20)13-8-5-4-7-12(13)14/h2*4-5,7-8,14-16H,6,9,11H2,1-3H3/t2*14-,15+,16+/m00/s1
InChIKey QWOJHGPIGWZCLR-GQNSGLQYSA-N
Mol Weight 596.77 g/mol
Molecular Formula C36H44N4O4
Exact Mass 596.336256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoGJE3z2js3
Name TERT.-BUTYL-(1S,8R,10S)-10-(2-CYANOETHYL)-9-AZATRICYCLO-[6.2.1.0(2,7)]-UNDECA-2,4,6-TRIENE-9-CARBOXYLATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44N4O4
InChI InChI=1S/2C18H22N2O2/c2*1-18(2,3)22-17(21)20-15(9-6-10-19)14-11-16(20)13-8-5-4-7-12(13)14/h2*4-5,7-8,14-16H,6,9,11H2,1-3H3/t2*14-,15+,16+/m00/s1
InChIKey QWOJHGPIGWZCLR-GQNSGLQYSA-N
Literature Reference Author D.M.HODGSON,L.H.WINNING
Literature Reference Citation BEIL.J.ORG.CHEM.,4,38,1(2008)
Molecular Weight 596.770 g/mol
Solvent CDCl3
Source File Reference UWBT10689