| SpectraBase Compound ID | 5wErVuxYpTl |
|---|---|
| InChI | InChI=1S/C21H26N2O6/c1-12(2)11-29-21(25)18-14(4)22(5)13(3)17(20(24)28-6)19(18)15-9-7-8-10-16(15)23(26)27/h7-10,12,19H,11H2,1-6H3 |
| InChIKey | KXCPBRDHNRNJEB-UHFFFAOYSA-N |
| Mol Weight | 402.45 g/mol |
| Molecular Formula | C21H26N2O6 |
| Exact Mass | 402.179087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpuHqvEOp3n |
|---|---|
| Name | Nisoldipine me P1453 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.179086559 u |
| Formula | C21H26N2O6 |
| InChI | InChI=1S/C21H26N2O6/c1-12(2)11-29-21(25)18-14(4)22(5)13(3)17(20(24)28-6)19(18)15-9-7-8-10-16(15)23(26)27/h7-10,12,19H,11H2,1-6H3 |
| InChIKey | KXCPBRDHNRNJEB-UHFFFAOYSA-N |
| Molecular Weight | 402.447 g/mol |
| SMILES | C=1(C(C(=C(C)N(C1C)C)C(=O)OC)C1=C(N(=O)=O)C=CC=C1)C(OCC(C)C)=O |