| SpectraBase Compound ID | EdkAprqkfg5 |
|---|---|
| InChI | InChI=1S/C22H35N3O5/c1-8-25(9-2)21(28)24-17-10-11-20(19(12-17)15(3)26)29-14-18(30-16(4)27)13-23-22(5,6)7/h10-12,18,23H,8-9,13-14H2,1-7H3,(H,24,28) |
| InChIKey | XENAXWVZQMHMRK-UHFFFAOYSA-N |
| Mol Weight | 421.5 g/mol |
| Molecular Formula | C22H35N3O5 |
| Exact Mass | 421.257671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pDAPzpFFQY |
|---|---|
| Name | Celiprolol ac P1512 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.257671234 u |
| Formula | C22H35N3O5 |
| InChI | InChI=1S/C22H35N3O5/c1-8-25(9-2)21(28)24-17-10-11-20(19(12-17)15(3)26)29-14-18(30-16(4)27)13-23-22(5,6)7/h10-12,18,23H,8-9,13-14H2,1-7H3,(H,24,28) |
| InChIKey | XENAXWVZQMHMRK-UHFFFAOYSA-N |
| Molecular Weight | 421.538 g/mol |
| SMILES | C=1(OCC(OC(=O)C)CNC(C)(C)C)C(C(C)=O)=CC(=CC1)NC(N(CC)CC)=O |