| SpectraBase Compound ID | 3rRPIIc2lTA |
|---|---|
| InChI | InChI=1S/C26H38N2O5/c1-4-32-25(30)21(16-15-19-11-7-6-8-12-19)27-18(3)24(29)28-22-14-10-9-13-20(22)17-23(28)26(31)33-5-2/h6-8,11-12,18,20-23,27H,4-5,9-10,13-17H2,1-3H3 |
| InChIKey | FODYJSPRVMRBCI-UHFFFAOYSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C26H38N2O5 |
| Exact Mass | 458.278072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3R61EEY25f |
|---|---|
| Name | Trandolapril et @P1598 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.278072327 u |
| Formula | C26H38N2O5 |
| InChI | InChI=1S/C26H38N2O5/c1-4-32-25(30)21(16-15-19-11-7-6-8-12-19)27-18(3)24(29)28-22-14-10-9-13-20(22)17-23(28)26(31)33-5-2/h6-8,11-12,18,20-23,27H,4-5,9-10,13-17H2,1-3H3 |
| InChIKey | FODYJSPRVMRBCI-UHFFFAOYSA-N |
| Molecular Weight | 458.599 g/mol |
| SMILES | C1=CC=C(CCC(C(=O)OCC)NC(C(N2C(CC3C2CCCC3)C(=O)OCC)=O)C)C=C1 |