. 2014 Aug 20;1(Pt 5):328–337. doi: 10.1107/S2052252514015450

Table 2. ²³Na NMR isotropic chemical shifts (δ_iso), quadrupolar coupling constants (C _Q) and asymmetry parameters (η _Q) for AH, MH, DH-I and DH-II.

	δ_iso (p.p.m.)	C _Q (MHz)	η_Q	Relative abundance
AH (site 1)^†	2.7	3.17	0.57	0.55
AH (site 2)^†	2.7	2.86	0.74	0.45
MH^‡	4.1	1.04	0.54	–
DH-I^‡	−0.8	2.95	0.25	–
DH-II^‡ ^§	−1.7	2.30	0.49	0.5
	0.0	2.50	0.40	0.5
Ibuprofen-DH	0.0	2.80	0.20	–

^†

Fitted to spectra recorded at 9.4 and 16.4 T.

^‡

Fitted to spectra recorded at 9.4 T.

^§

An approximate fit is based on the two listed sites.

Table 2. 23Na NMR isotropic chemical shifts (δiso), quadrupolar coupling constants (C Q) and asymmetry parameters (η Q) for AH, MH, DH-I and DH-II.