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. 2016 Jan 7;13(3):1012–1029. doi: 10.1021/acs.molpharmaceut.5b00856

Table 1. Comparison of Peak Heights, Integrals, and FWHM for Different Carbon and Nitrogen Sites of Anhydrous OTA with Different Level of Order–Disorder.

  height
integration
fwhm
peak (ppm) AHs1/AHs2 AHs1/AHs3 AHs1/AHs2 AHs1/AHs3 AHs1/AHs2 AHs1/AHs3
C2 (170.8) 0.81 0.70 0.96 0.92 1.14 1.33
C5 (165.4) 0.80 0.68 0.92 0.98 1.13 1.42
C1 (152.6) 0.88 0.80 0.95 0.94 1.03 1.13
C4 (143.3) 0.79 0.69 0.95 0.98 1.19 1.39
C3 (105.5) 0.71 0.55 1.00 0.96 1.32 1.66
N1 (161.6–161.0) 0.79 0.78 1.13 1.17 1.41 1.76
N2 (130.2–130.6) 0.89 0.83 0.98 1.10 1.15 1.44