| SpectraBase Compound ID | 69gFETKGulG |
|---|---|
| InChI | InChI=1S/C20H25NO4/c1-14(2)21(15(3)22)12-18(25-16(4)23)13-24-20-11-7-9-17-8-5-6-10-19(17)20/h5-11,14,18H,12-13H2,1-4H3 |
| InChIKey | PIVFTODZBDQMRW-UHFFFAOYSA-N |
| Mol Weight | 343.42 g/mol |
| Molecular Formula | C20H25NO4 |
| Exact Mass | 343.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eYIC3pCS6L |
|---|---|
| Name | Propranolol, N,o-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.178358285 u |
| Formula | C20H25NO4 |
| InChI | InChI=1S/C20H25NO4/c1-14(2)21(15(3)22)12-18(25-16(4)23)13-24-20-11-7-9-17-8-5-6-10-19(17)20/h5-11,14,18H,12-13H2,1-4H3 |
| InChIKey | PIVFTODZBDQMRW-UHFFFAOYSA-N |
| Molecular Weight | 343.423 g/mol |
| SMILES | C1=CC(=C2C(=C1)C=CC=C2)OCC(CN(C(C)C)C(C)=O)OC(=O)C |