Skip to main content

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

Back to article page

BMC Chemistry

ISSN: 2661-801X

Contact us