| SpectraBase Compound ID | AIn7PYu6wj9 |
|---|---|
| InChI | InChI=1S/C22H35NO6/c1-16(2)23(18(5)24)13-22(29-19(6)25)15-28-21-9-7-20(8-10-21)14-26-11-12-27-17(3)4/h7-10,16-17,22H,11-15H2,1-6H3 |
| InChIKey | HQAWTGVLZMAXAA-UHFFFAOYSA-N |
| Mol Weight | 409.5 g/mol |
| Molecular Formula | C22H35NO6 |
| Exact Mass | 409.246438 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jQF5IDyDR1 |
|---|---|
| Name | Bisoprolol 2ac P1476 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.246437845 u |
| Formula | C22H35NO6 |
| InChI | InChI=1S/C22H35NO6/c1-16(2)23(18(5)24)13-22(29-19(6)25)15-28-21-9-7-20(8-10-21)14-26-11-12-27-17(3)4/h7-10,16-17,22H,11-15H2,1-6H3 |
| InChIKey | HQAWTGVLZMAXAA-UHFFFAOYSA-N |
| Molecular Weight | 409.523 g/mol |
| SMILES | CC(N(C(C)C)CC(COC=1C=CC(=CC1)COCCOC(C)C)OC(C)=O)=O |