Research Article
FT-IR, Laser-Raman, UV-Vis, and NMR Spectroscopic Studies of Antidiabetic Molecule Nateglinide
Table 6
The experimental and computed 13C 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) | (in DMSO) | Monomer 2 (in DMSO) |
| | 175.54 | 163.551-C24 | 161.592-C23 | 43.27, 44.25 | 39.6492-C25 | 39.5256-C25 | | 173.68 | 161.646-C23 | 161.179-C24 | 37.15 | 36.5275-C33 | 36.7221-C33 | | 138.23 | 124.208-C17 | 124.354-C17 | 32.76 | 30.134-C18 | 33.2255-C18 | | 129.53 | 115.937-C9 | 116.639-C7 | 29.63 | 27.5208-C41 | 27.5424-C41 | | 128.48 | 115.795-C15 | 115.406-C15 | 29.48 | 25.2552-C38 | 25.943-C38 | | 126.73 | 115.334-C13 | 114.909-C9 | 28.98 | 24.9742-C30 | 24.3689-C30 | | | 114.87-C7 | 114.799-C13 | 20.07 | 21.5326-C27 | 21.083-C27 | | | 113.289-C11 | 112.649-C11 | | 18.302-C35 | 17.7894-C35 | | 53.47 | 50.3871-C21 | 44.1719-C21 | | 12.926-C43 | 13.0837-C43 | | | | | | 7.0408-C47 | 6.1516-C47 |
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R2 = 0.9985 and RMSD = 8.615417071 ppm for Monomer 1 and R2 = 0.9981 and RMSD = 9.136034 ppm for Monomer 2.
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