| SpectraBase Compound ID | GIi0rKf7g3C |
|---|---|
| InChI | InChI=1S/C23H35F3N2O5Si/c1-8-9-21(30)27-17-10-11-20(19(12-17)16(4)29)32-14-18(33-34(5,6)7)13-28(15(2)3)22(31)23(24,25)26/h10-12,15,18H,8-9,13-14H2,1-7H3,(H,27,30) |
| InChIKey | MFRRZLVBTDXARA-UHFFFAOYSA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C23H35F3N2O5Si |
| Exact Mass | 504.226733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZvlWqn70Rw |
|---|---|
| Name | Acebutolol 2tmstfa P1665 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 504.226733254 u |
| Formula | C23H35F3N2O5Si |
| InChI | InChI=1S/C23H35F3N2O5Si/c1-8-9-21(30)27-17-10-11-20(19(12-17)16(4)29)32-14-18(33-34(5,6)7)13-28(15(2)3)22(31)23(24,25)26/h10-12,15,18H,8-9,13-14H2,1-7H3,(H,27,30) |
| InChIKey | MFRRZLVBTDXARA-UHFFFAOYSA-N |
| Molecular Weight | 504.622 g/mol |
| SMILES | C=1C(=C(C=C(C1)NC(CCC)=O)C(C)=O)OCC(O[Si](C)(C)C)CN(C(C)C)C(=O)C(F)(F)F |