| SpectraBase Compound ID | 7YKkEuRUPnU |
|---|---|
| InChI | InChI=1S/C22H27ClN2O6/c1-5-31-22(28)20-17(12-30-11-10-24-14(3)26)25-13(2)18(21(27)29-4)19(20)15-8-6-7-9-16(15)23/h6-9,19,25H,5,10-12H2,1-4H3,(H,24,26) |
| InChIKey | MRDCCTCXJCVQFK-UHFFFAOYSA-N |
| Mol Weight | 450.92 g/mol |
| Molecular Formula | C22H27ClN2O6 |
| Exact Mass | 450.155764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Nv0w44rEaQ |
|---|---|
| Name | Amlodipine ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.155764291 u |
| Formula | C22H27ClN2O6 |
| InChI | InChI=1S/C22H27ClN2O6/c1-5-31-22(28)20-17(12-30-11-10-24-14(3)26)25-13(2)18(21(27)29-4)19(20)15-8-6-7-9-16(15)23/h6-9,19,25H,5,10-12H2,1-4H3,(H,24,26) |
| InChIKey | MRDCCTCXJCVQFK-UHFFFAOYSA-N |
| Molecular Weight | 450.919 g/mol |
| SMILES | C1(C(=C(NC(=C1C(OC)=O)C)COCCNC(=O)C)C(OCC)=O)C1=C(C=CC=C1)Cl |