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Table 4 Experimental and calculated [at B3LYP/6-31G(d,p) and MPW1PW91/6-31+G(d,p)] 13C-NMR data of 1

From: Experimental and computational studies of an antiplasmodial derivative of allantoin; antimycobacterial essential oil from Cordia batesii WERNHAM (Boraginaceae)

Position 13C chemical shifts (ppm)
Experimental B3LYP/6-31G(d,p) MPW1PW91/6-31+G(d,p)
2 156.8 156.1 157.0
4 173.6 174.4 174.6
5 62.4 61.7 62.7
7 157.4 157.0 158.0
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