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. 2014 Jan 17;77(2):243–249. doi: 10.1021/np400722m

Table 1. NMR Spectroscopic Data for Compounds 1, 3, and 4 in D2O at 600 MHz (1H) and 150 MHz (13C).

  compound 1
compound 3
compound 4
position δC, type (mult; J in Hz) δH (mult; J in Hz) HMBC δC, type (mult; J in Hz) δH (mult; J in Hz) HMBC δC, type (mult; J in Hz) δH (mult; J in Hz) HMBC
1 27.1, CH2 (d; 133.0) 1.79 (m) 2, P 68.6, CH (d; 148.5) 3.62 (m) 2, P 59.4, CH (d; 136.5) 4.31 (d; 16.0) 2, P, N
2 34.4, CH2 3.26 (m) 1, 3, P 42.4, CH2 a 3.47, b 3.21 (m) 1, 3, P 120.7, CN    
3 173.9, qC     174.3, qC          
4 21.8, CH3 1.85 (s) 3 22.0, CH3 1.91 (s) 3      
P 21.7 (m)     15.5 (m)     7.6 (d; 16.0)    
N             –137.9