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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 Chem Kinet 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 : Solvent sensitivity of ortho substituent effect on 13C NMR. Magn Reson Chem 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 13 C NMR chemical shifts in substituted phenyl benzoates. J. Phys. Org. Chem. 2009, 22, 1155. <>
  • Sen Gupta Susanta K., Shrivastava Ruchi: Chemometric analysis of disubstituent effects on the13C 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. Magn. Reson. Chem. 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. <>