C6‐substituted purine derivatives: an experimental and theoretical 1H, 13C and 15N NMR study |
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| Authors: | Eliška Procházková Michal Šála Radim Nencka Martin Dračínský |
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| Institution: | Institute of Organic Chemistry and Biochemistry, Academy of Sciences, , Prague, Czech Republic |
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| Abstract: | We measured the 1H, 13 C and 15 N chemical shifts for a series of purine derivatives bearing a norbornane substituent in position 9 and various substituents in position 6. The experimental data were complemented with density functional theory (DFT) calculations. The comparison of the calculated and experimental chemical shifts provided us with information about the tautomer and conformational equilibria of the studied compounds. Copyright © 2012 John Wiley & Sons, Ltd. |
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| Keywords: | NMR 1H 13C 15N purine derivatives tautomerism conformational equilibria DFT calculations |
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