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Collect. Czech. Chem. Commun. 2000, 65, 106-116

Chemometrical Analysis of Substituent Effects. XIII. Comparison of Substituent Effects on Dissociation and Chemical Shift in 13C NMR Spectra of Mono- and Disubstituted Benzoic Acids

Jiří Kulháneka,*, Oldřich Pytelaa and Antonín Lyčkab

a Department of Organic Chemistry, Faculty of Chemical Technology, University of Pardubice, nám. Čs. legií 565, 532 10 Pardubice, Czech Republic
b Research Institute of Organic Syntheses, 532 18 Pardubice-Rybitví, Czech Republic

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  • Gupta Susanta K. Sen, Radha Rani V.: Kinetics of proton transfer between metasubstituted benzoic acids and the carbinol base of crystal violet in toluene: Specific solvent effect–free metasubstituent effect on the reactivity of benzoic acids. Int J of Chemical Kinetics 2011, 43, 303. <>
  • Sen Gupta Susanta K., Shrivastava Ruchi: Solvent sensitivity of ortho substituent effect on 13C NMR chemical shift of the carboxyl carbon (δco) in benzoic acid. Magnetic Reson in Chemistry 2011, 49, 700. <>
  • Sen Gupta Susanta K., Mishra Sangeeta: Kinetics of Proton Transfer between Ortho Substituted Benzoic Acids and the Carbinol Base of Crystal Violet in Toluene. Ortho Effect on the Reactivity of Benzoic Acids in Apolar Aprotic Solvents. J. Phys. Chem. A 2011, 115, 4616. <>
  • Sen Gupta Susanta K., Prasad Rajendra: Origin and Nature of Transmission Modes of Anomalous Effects of meta-Substituents on the 13C Chemical Shift of the Carboxyl Carbon (δCO) of Benzoic Acid. Aust. J. Chem. 2010, 63, 321. <>
  • Nummert Vilve, Piirsalu Mare, Mäemets Vahur, Vahur Signe, Koppel Ilmar A.: Effect of ortho substituents on carbonyl carbon 13C NMR chemical shifts in substituted phenyl benzoates. J of Physical Organic Chem 2009, 22, 1155. <>
  • Sen Gupta Susanta K., Shrivastava Ruchi: Chemometric analysis of disubstituent effects on the 13C chemical shifts of the carboxyl carbons (δCO) of benzoic acids. A comparative study of the substituent effects on the strength of benzoic acids in apolar aprotic media. Magnetic Reson in Chemistry 2007, 45, 1035. <>
  • D'Anna Francesca, Ferroni Fiammetta, Frenna Vincenzo, Guernelli Susanna, Lanza Camilla Zaira, Macaluso Gabriella, Pace Vitalba, Petrillo Giovanni, Spinelli Domenico, Spisani Raffaella: On the application of the extended Fujita–Nishioka equation to polysubstituted systems. A kinetic study of the rearrangement of several poly-substituted Z-arylhydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole into 2-aryl-4-benzoylamino-5-phenyl-1,2,3-triazoles in dioxane/water. Tetrahedron 2005, 61, 167. <>