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3,3-Bis(cyclohexylamino)-1-phenylprop-2-en-1-one
SpectraBase Compound ID DCCb4MS00qZ
InChI InChI=1S/C21H30N2O/c24-20(17-10-4-1-5-11-17)16-21(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19,22-23H,2-3,6-9,12-15H2
InChIKey AJRVPRZRHPXAMC-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C21H30N2O
Exact Mass 326.235814 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 U1-2010-308-6c
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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