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. 2021 May 5;259:119907. doi: 10.1016/j.saa.2021.119907

Table 6.

Experimental and calculated 1H and 13C NMR isotropic chemical shifts (ppm) of DADS.

Atoms Experimental(ppm) Calculated(ppm) Atoms Experimental(ppm) Calculated(ppm)
C13 160.07 169.67 H12 13.23 8.23
C2 160.75 160.14 H23 8.27 8.22
C19 157.88 157.37 H26 8.27 7.54
C21 150.68 154.38 H7 7.07 7.54
C17 150.62 144.78 H8 7.07 7.38
C4 138.02 139.67 H24 6.56 7.37
C6 133.08 131.24 H16 6.56 6.98
C5 128.97 128.13 H25 6.56 6.96
C3 127.20 121.83 H35 3.07 3.35
C1 119.51 121.78 H31 3.07 3.35
C20 109.79 118.09 H29 3.07 3.18
C18 109.69 107.40 H33 3.07 3.18
C28 40.45 40.16 H30 2.85 2.50
C32 40.24 39.96 H34 2.85 2.50