| SpectraBase Compound ID | 7GvWLfAww55 |
|---|---|
| InChI | InChI=1S/C20H36N2O3Si/c1-15(2)21-13-17(23)14-25-18-10-8-16(9-11-18)12-19(24)22-26(6,7)20(3,4)5/h8-11,15,17,21,23H,12-14H2,1-7H3,(H,22,24) |
| InChIKey | JNFAMOVHRPRKMT-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C20H36N2O3Si |
| Exact Mass | 380.24952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9V02Ti2jzZ4 |
|---|---|
| Name | Atenolol, tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.249519559 u |
| Formula | C20H36N2O3Si |
| InChI | InChI=1S/C20H36N2O3Si/c1-15(2)21-13-17(23)14-25-18-10-8-16(9-11-18)12-19(24)22-26(6,7)20(3,4)5/h8-11,15,17,21,23H,12-14H2,1-7H3,(H,22,24) |
| InChIKey | JNFAMOVHRPRKMT-UHFFFAOYSA-N |
| Molecular Weight | 380.604 g/mol |
| SMILES | C(NCC(O)COC1=CC=C(CC(N[Si](C)(C(C)(C)C)C)=O)C=C1)(C)C |