| SpectraBase Compound ID | I5cuefHLwH1 |
|---|---|
| InChI | InChI=1S/C26H50N2O3Si2/c1-20(2)27-18-23(31-33(11,12)26(6,7)8)19-30-22-15-13-21(14-16-22)17-24(29)28-32(9,10)25(3,4)5/h13-16,20,23,27H,17-19H2,1-12H3,(H,28,29) |
| InChIKey | VCMPLPIVHLMASD-UHFFFAOYSA-N |
| Mol Weight | 494.9 g/mol |
| Molecular Formula | C26H50N2O3Si2 |
| Exact Mass | 494.335997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WIlPPt5yoC |
|---|---|
| Name | Atenolol, N,o-bis-tert-buytldimethylsilyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.335996545 u |
| Formula | C26H50N2O3Si2 |
| InChI | InChI=1S/C26H50N2O3Si2/c1-20(2)27-18-23(31-33(11,12)26(6,7)8)19-30-22-15-13-21(14-16-22)17-24(29)28-32(9,10)25(3,4)5/h13-16,20,23,27H,17-19H2,1-12H3,(H,28,29) |
| InChIKey | VCMPLPIVHLMASD-UHFFFAOYSA-N |
| Molecular Weight | 494.867 g/mol |
| SMILES | C1=C(C=CC(=C1)OCC(O[Si](C(C)(C)C)(C)C)CNC(C)C)CC(N[Si](C)(C(C)(C)C)C)=O |