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. Author manuscript; available in PMC: 2008 Oct 16.
Published in final edited form as: Chem Res Toxicol. 2006 Apr;19(4):547–555. doi: 10.1021/tx0503395

Table 1.

The 1H NMR Spectroscopic Data Obtained with the P8–dG and P9–dG Cross-Linking Products (diastereomers of N7G-N1dG-BD; Scheme 2) in DMSO-d6

P8–dG cross-
linking product
P9–dG cross-
linking product
assignments
10.74 (br s, 1H) 10.69 (s, 1H) H-1‴
7.95 (s, 1H) 7.94 (s, 1H) H-8
7.82 (s, 1H) 7.81 (s, 1H) H-8‴
6.77 (s, 2H) 6.74 (s, 2H) 2-NH2
6.13 (t, 1H) 6.13 (dd, 1H) H-1′
6.08 (s, 2H) 6.04 (s, 2H) 2‴-NH2
5.48 (d, 1H) 5.45 (d, 1H) 2″-OH or 3″-OH
5.27 (d, 2H) 5.22 (d, 2H) 3′-OH and 2″-OH or 3″-OH
4.94 (t, 1H) 4.90 (t, 1H) 5′-OH
4.34 (m, 1H) 4.34 (m, 1H) H-3′
4.33 (m, 1H) 4.33 (m, 1H) H-4″
4.18 (dd, 1H) 4.19 (dd, 1H) H-4″
4.06 (m, 1H) 4.09 (m, 1H) H-1″
3.97 (m, 1H) 3.96 (m, 1H) H-1″
3.81 (m, 2H) 3.82 (m, 2H) H-4′ and H-2″ or H-3″
3.72 (m, 1H) 3.73 (m, 1H) H-2″ or H-3″
3.55 (m, 1H) 3.55 (m, 1H) H-5′
3.49 (m, 1H) 3.50 (m, 1H) H-5′
2.5 (m, 1H)a 2.51 (m, 1H)a H-2′
2.19 (m, 1H) 2.20 (m, 1H) H-2′
a

These values of the chemical shifts are approximate because the solvent peak (DMSO) appeared at 2.50 ppm.