Table 3.

Comparison of selected ¹³C and ¹⁵N NMR chemical shifts of Compound Q

Position	A		B	C	D	E†		F†
	δ13C	δ15N	δ13C	δ13C	δ13C	δ13C	δ15N	δ13C	δ15N
C-1′*	46.4		53.1		47.4
C-1′	49.9		55.0	51.2
C-2′	68.2		70.2	69.1
C-4a*	92.6		108.2		82.5			102.8
C-4a	133.5		136.7	130.9		136.2
C-8a	150.6		150.3	150.4		152.1
C-2*	150.6		152.0		150.7			151.1
C-2	157.8		154.9	157.9		159.8
C-4*	160.8		155.4		160.9			158.3
C-4	162.3		158.8	163.1		163.7
N-5		334.6					334.7
N-1		190.7					190.8
N-8		184.9					163.5
N-3		159.8					160.5
N-3*		147.0							149.7
N-1*		123.4							128.0
N-8*		88.8							87.2
N-5*		49.9							58.0

A, selected ¹³C and ¹⁵N NMR chemical shifts of Compound Q; B, predicted values by specinfo; C, chemical shifts of corresponding positions in 6,7-dimethyl-8-ribityllumazine; D, 5-amino-6-ribitylamino-4(3H)-pyrimidinedion; E, FMN; F, FMNH₂. 

^† From ref. 17.