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3,3-BIS-(CYCLOHEXYLAMINO)-1-(4'-METHOXYPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID BSWBbgIFY2a
InChI InChI=1S/C22H32N2O2/c1-26-20-14-12-17(13-15-20)21(25)16-22(23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h12-16,18-19,23-24H,2-11H2,1H3
InChIKey HZXNFAMXPPNJEW-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C22H32N2O2
Exact Mass 356.246378 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
GIAO, DFT, AIM and NBO analysis of the NH···O intramolecular hydrogen-bond influence on the 1 J (N,H) coupling constant in push-pull diaminoenones Magnetic Resonance in Chemistry 2010

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