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cis-4a-(2-Cyanoethyl)-9-benzyl-2,3,4,4a,9,9a-hexahydro-1H-carbazol-4-one
SpectraBase Compound ID 6vN5DTDoF5e
InChI InChI=1S/C22H22N2O/c23-15-7-14-22-18-10-4-5-11-19(18)24(16-17-8-2-1-3-9-17)20(22)12-6-13-21(22)25/h1-5,8-11,20H,6-7,12-14,16H2/t20-,22-/m0/s1
InChIKey XJKJUHGHSFXOMX-UNMCSNQZSA-N
Mol Weight 330.43 g/mol
Molecular Formula C22H22N2O
Exact Mass 330.173213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IipV9X6th51
Name CIS-4A-(2-CYANOETHYL)-9-BENZYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-CARBAZOL-4-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O
InChI InChI=1S/C22H22N2O/c23-15-7-14-22-18-10-4-5-11-19(18)24(16-17-8-2-1-3-9-17)20(22)12-6-13-21(22)25/h1-5,8-11,20H,6-7,12-14,16H2/t20-,22-/m0/s1
InChIKey XJKJUHGHSFXOMX-UNMCSNQZSA-N
Literature Reference Author D.DUGAT,N.BENCHEKROUN-MOUNIR,G.DAUPHIN,J.C.GRAMAIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2145(1998)
Literature Reference DOI 10.1039/a802620c
Molecular Weight 330.429 g/mol
Solvent CDCl3
Source File Reference UWGE3704