title: C6-substituted purine derivatives: an experimental and theoretical 1H, 13C and 15N NMR study.
abstract: We measured the (1)H, (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.
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic.
authors.forename: Eliška
authors.initials: E
authors.lastname: Procházková
authors.forename: Michal
authors.initials: M
authors.lastname: Sála
authors.forename: Radim
authors.initials: R
authors.lastname: Nencka
authors.forename: Martin
authors.initials: M
authors.lastname: Dračínský
mesh_terms: D002247:Carbon Isotopes; D009682:Magnetic Resonance Spectroscopy / Q000592:standards; D009587:Nitrogen Isotopes; D009636:Norbornanes / Q000737:chemistry; D011522:Protons; D011687:Purines / Q000737:chemistry*; D011789:Quantum Theory; D012015:Reference Standards
chemical_list: D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D009636:Norbornanes; D011522:Protons; D011687:Purines