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3-Benzylamino-2-diethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-one dication

View entire compound with spectra: 1 NMR

3-Benzylamino-2-diethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-one dication
SpectraBase Compound ID CocTudwR9sP
InChI InChI=1S/C20H30N2O/c1-5-22(6-2)15-17-18(12-20(3,4)13-19(17)23)21-14-16-10-8-7-9-11-16/h7-11,21H,5-6,12-15H2,1-4H3/p+2
InChIKey MVOFWCYDFVJXAD-UHFFFAOYSA-P
Mol Weight 316.5 g/mol
Molecular Formula C20H32N2O
Exact Mass 316.251464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yqnfEPLQSf
Name 3-Benzylamino-2-diethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-one dication
Comments PERCHLORATE COMPLEX C40 H65 CL3 N4 O14
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H32N2O
InChI InChI=1S/C20H30N2O/c1-5-22(6-2)15-17-18(12-20(3,4)13-19(17)23)21-14-16-10-8-7-9-11-16/h7-11,21H,5-6,12-15H2,1-4H3/p+2
InChIKey MVOFWCYDFVJXAD-UHFFFAOYSA-P
Instrument Name Varian XL-100
Literature Reference H. Moehrle, C. Kampe, J. Herbke, Monatsh. Chem. 109, 1295 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6