Atom Chemical Shift (ppm)
Calculated Experimental
MPP CPP MPP CPP
C2 53.3 53.2 52.3 52.6
C3 49.9 49.9 46.5 46.2
C5 49.7 49.2 46.5 46.2
C6 56.1 55.3 52.3 52.6
C7 153.9 157.3 142.1 149.7
C8 122.4 125.2 111.5 130.6
C9 129.5 132.3 122.8 123.6
C10 126.4 126.7 121.1 127.5
C11 128.5 135.2 118.3 120.4
C12 160.4 142.5 152.4 128.8
C27 60.8 - 55.4 -
H13 2.74 3.15 3.04 3.01
H14 2.80 2.73 3.04 3.01
H15 3.03 2.97 3.04 3.01
H16 3.01 3.04 3.04 3.01
H17 0.63 1.22 1.81 2.02
H18 2.87 2.85 3.04 3.01
H19 3.12 3.17 3.04 3.01
H20 2.22 2.42 3.04 3.01
H21 3.86 3.51 3.04 3.01
H22 6.91 7.08 6.99 7.02
H23 7.23 7.37 6.95 7.20
H24 7.11 7.13 6.94 6.94
H25 7.22 7.47 6.93 7.02
H28 3.85 - 3.85 -
H29 4.41 - 3.85 -
H30 3.32 - 3.85 -
Table 11: Experimental and Theoretical chemical shifts of DMP and DPC.