Research Article
FT-IR, Laser-Raman, UV-Vis, and NMR Spectroscopic Studies of Antidiabetic Molecule Nateglinide
Table 5
The experimental and computed 1H NMR isotropic chemical shifts (with respect to TMS, all values in ppm) of nateglinide.
| (in DMSO-d6) | Monomer 1 (in DMSO) | Monomer 2 (in DMSO) | (in DMSO-d6) | Manomer 1 (in DMSO) | Manomer 2 (in DMSO) |
| 12.58 | | | 1.76 | 1.78-H42 | 1.88-H37 | | 8.16-H8 | 8.09-H16 | 1.68 | 1.67-H31 | 1.83-H26 | | 8.07-H10 | 7.89-H10 | 1.66 | 1.67-H28 | 1.65-H32 | 7.93–7.92 | 7.95-H14 | 7.84-H14 | 1.63 | 1.61-H34 | 1.55-H29 | 7.24–7.36 | 7.83-H12 | 7.78-H12 | 1.51 | 1.54-H29 | 1.51-H34 | 7.15–7.19 | 7.80-H16 | 7.70-H8 | | 1.50-H32 | 1.50-H31 | 7.05–7.10 | 6.92-H3 | 7.10-H3 | | 1.49-H39 | 1.31-H39 | | 6.16-H6 | 6.20-H6 | 1.35 | 1.35-H37 | 1.23-H44 | 4.36–4.49 | 4.55-H22 | 5.76-H22 | | 1.25-H44 | 1.23-H36 | 3.01–3.15 | 3.48-H19 | 3.71-H20 | | 1.19-H46 | 1.21-H49 | 2.80–2.84 | 2.93-H20 | 2.67-H19 | | 1.13-H49 | 1.19-H46 | 2.59 | 2.17-H26 | 2.05-H40 | | 1.10-H45 | 1.08-H45 | 2.00–2.02 | 2.15-H40 | 1.94-H42 | 0.91, 0.87 | 0.86-H48 | 0.96-H48 | | 1.97-H36 | 1.88-H28 | 0.69, 0.70 | 0.81-H50 | 0.81-H50 |
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R2 = 0.9932 and RMSD = 0.237831578 ppm for Monomer 1 and R2 = 0.9709 and RMSD = 0.403748 ppm for Monomer 2.
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