Table 2.

Experimental CP MAS (Exp.) and calculated (GIPAW) ¹³C NMR chemical shifts (δ, ppm) for ether 3.

Atom Number	Exp.	GIPAW	Δ(Exp.-GIPAW)
Molecule A
2	73.4	77.66	−4.26
2a	25.6	23.56	2.04
2b	29.8	27.17	2.63
3	31.1	28.12	2.98
4	21.9	20.41	1.49
4a	118.3	120.05	−1.75
5	129.7	132.14	−2.44
5a	14.4	12.95	1.45
6	146.4	149.71	−3.31
7	126.4	129.35	−2.95
7a	14.4	13.01	1.39
8	121.4	123.11	−1.71
8a	148.4	150.95	−2.55
8b	11.8	9.58	2.22
1′	103.7	108.71	−5.01
2′	32.3	29.52	2.78
3′	24.1	22.64	1.46
4′	24.1	23.46	0.64
5′	67.1	67.24	−0.14
Molecule B
2	73.4	77.74	−4.34
2a	25.6	23.96	1.64
2b	31.1	28.98	2.12
3	32.3	29.71	2.59
4	21.9	20.75	1.15
4a	118.3	119.79	−1.49
5	129.7	133.2	−3.5
5a	12.8	11.53	1.27
6	146.4	149.46	−3.06
7	126.4	129.77	−3.37
7a	14.4	13	1.4
8	121.4	123.12	−1.72
8a	148.4	151.28	−2.88
8b	11.8	8.71	3.09
1′	103.7	108.34	−4.64
2′	32.3	30.75	1.55
3′	24.1	23.45	0.65
4′	21.9	21.95	−0.05
5′	70	69.53	0.47