. 2023 Nov 8;8(46):43573–43585. doi: 10.1021/acsomega.3c04360

Table 3. ¹³C-NMR Chemical Shift δ (ppm) (Figures S10–S14).

atoms	CDCl₃	DMSO-d₆	B3LYP/6-311G(d,p)
C1	137.83	137.52	160.92
C2	129.58	129.34	150.82
C3	128.44	129.65	147.11
C4	128.58	129.65	148.21
C5	128.58	129.65	149.43
C6	129.58	129.34	149.69
C7	149.39	149.40	171.32
C8	118.36	118.09	137.32
C9	152.61	152.64	171.25
C10	147.83	147.59	167.82
C11	130.93	130.92	152.63
C12	129.73	130.98	148.56
C13	128.63	129.84	147.72
C14	128.09	127.73	145.88
C15	125.85	125.93	147.44
C16	203.29	202.51	220.35
C17	30.91	30.72	50.15
C18	8.14	8.42	24.14

Table 3. 13C-NMR Chemical Shift δ (ppm) (Figures S10–S14).