Mag. Res. Chem. 43, 985-991 (2005)
R. M. Claramunt, D. Sanz, I. Alkorta, J. Elguero
A theoretical study of multinuclear coupling constants in pyrazoles
The 243 coupling constants of eight N-R-pyrazoles [R = H, CH3, C6H5, COCH3, NH2, NO2, SO2CF3, Si(CH3)3] have been calculated and compared with 131 experimental values. The agreement is good and can be used to estimate new couplings. The whole collection has been statistically analyzed.
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