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                    Dependence of Spectral Parameters in 1H and 13C NMR Spectra of Aromatic Compounds Upon Substituent Spatial-Structural Peculiarities
                
                                    
                
                
                    Published:
04 November 2008
by MDPI
in The 12th International Electronic Conference on Synthetic Organic Chemistry
session General Organic Synthesis
                
                                    
                
                
                    Abstract: The presence of opposite by ßOH shifts of ortho-protons (downfield, if the substitution takes place in ?-position and upper-field – in ?-position) by the substitution of hydrogen atoms for methyl groups in alkyl chain of alkylbenzenes has been found. The independent influence of both effects at the simultaneous branching near ?- and ?-hydrocarbon atoms of alkyl chain has been determined. The mentioned phenomena has been explained by conformational peculiarities of alkylbenzenes structure.
                
                                    
                        Keywords: alkylbenzenes, chemical shift, Hammet constant
                    
                
                
                
                 
            
 
        
    
    
         
    
    
         
    
    
         
    
    
         
    
 
                                