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3,3-BIS-(CYCLOHEXYLAMINO)-1-(4'-CHLOROPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID 51Ei0qE0nSL
InChI InChI=1S/C21H29ClN2O/c22-17-13-11-16(12-14-17)20(25)15-21(23-18-7-3-1-4-8-18)24-19-9-5-2-6-10-19/h11-15,18-19,23-24H,1-10H2
InChIKey BFHFRJGKXVQDSU-UHFFFAOYSA-N
Mol Weight 360.93 g/mol
Molecular Formula C21H29ClN2O
Exact Mass 360.196841 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum U1-2010-308-6b
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1-(4-Chlorophenyl)-3,3-bis(cyclohexylamino)prop-2-en-1-one
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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