Spectral Analysis and Crystal Structures of 4-(4-Methylphenyl)-6-Phenyl-2,3,3a, 4-Tetrahydro-1H-Pyrido[3,2,1-jk]Carbazole and 4-(4-Methoxyphenyl)-6-Phenyl-2,3,3a, 4-Tetrahydro-1H-Pyrido[3,2,1-jk]Carbazole

Table 6

Two-dimensional NMR data revealing connectivities of different nuclei in compound (IIb).

Proton	Chemical Shifts (ppm)	C,H-COSY connections	H,H-COSY connections	HMBC connections
H-1*	2.73 (brt)	20.8 (C-1)	1.81–1.88, 2.08–2.13	110.7
H-1**	2.83(dd, 𝐽=15.6, 5.6 Hz)		1.81–1.88, 2.08–2.13	23.2, 28.3, 110.7, 136.1, 136.5
H-2*	1.81–1.88 (m)	23.2 (C-2)	1.35	21.1, 39.2, 136.5
H-2**	2.08–2.13 (m)		2.73, 2.83	—
H-3*	1.35 (brq)	28.3 (C-3)	1.81–1.88, 3.06	23.2
H-3**	1.76–1.78 (m)		2.08–2.13	21.1, 39.2, 136.5
H-3a	3.06 (brt)	39.3 (C-3a)	1.35	46.2
H-4	3.32(dd, J = 12.0, 2.4 Hz)	46.2 (C-4)	3.06	28.3, 39.2, 116.9, 128.1, 128.9, 138.2
H-5	5.39(d, 𝐽=2.4 Hz)	116.9 (C-5)	3.32	39.3, 46.2, 134.9, 138.2, 140.1
H-8	6.33(d, 𝐽=8.4 Hz)	112.6 (C-8)	6.85	119.6, 128.9
H-9	6.85***(t, 𝐽=7.8 Hz)	121.1 (C-9)	7.02
H-10	7.02(t, 𝐽=7.8 Hz)	119.6 (C-10)	7.40–7.50	112.6, 128.9
H-11	7.40–7.50 (m)***	128.3	7.02	110.7, 121.1, 128.9, 135.0

*Axial like
**Equatorial like
***Appears along with other aromatic hydrogens.