| SpectraBase Compound ID | Bq4wDmAwry9 |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-6-9-17-10-7-8-11-19(17)23-13-18(24-16(5)22)12-20(14(2)3)15(4)21/h6-8,10-11,14,18H,1,9,12-13H2,2-5H3 |
| InChIKey | JULCEMKDOVJFID-UHFFFAOYSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ydLGyIYPg5 |
|---|---|
| Name | Alprenolol, N,o-di(acetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.194008349 u |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-6-9-17-10-7-8-11-19(17)23-13-18(24-16(5)22)12-20(14(2)3)15(4)21/h6-8,10-11,14,18H,1,9,12-13H2,2-5H3 |
| InChIKey | JULCEMKDOVJFID-UHFFFAOYSA-N |
| Molecular Weight | 333.428 g/mol |
| SMILES | C1(=CC=CC=C1CC=C)OCC(CN(C(C)C)C(C)=O)OC(C)=O |