| SpectraBase Compound ID | VJ4o4D5xqX |
|---|---|
| InChI | InChI=1S/C17H22F3NO3/c1-4-7-13-8-5-6-9-15(13)24-11-14(22)10-21(12(2)3)16(23)17(18,19)20/h4-6,8-9,12,14,22H,1,7,10-11H2,2-3H3 |
| InChIKey | HLYYDTKOPSEUDM-UHFFFAOYSA-N |
| Mol Weight | 345.36 g/mol |
| Molecular Formula | C17H22F3NO3 |
| Exact Mass | 345.155178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Av0IZchUHGZ |
|---|---|
| Name | Alprenolol, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.155178058 u |
| Formula | C17H22F3NO3 |
| InChI | InChI=1S/C17H22F3NO3/c1-4-7-13-8-5-6-9-15(13)24-11-14(22)10-21(12(2)3)16(23)17(18,19)20/h4-6,8-9,12,14,22H,1,7,10-11H2,2-3H3 |
| InChIKey | HLYYDTKOPSEUDM-UHFFFAOYSA-N |
| Molecular Weight | 345.362 g/mol |
| SMILES | C1(=CC=CC=C1CC=C)OCC(CN(C(C)C)C(C(F)(F)F)=O)O |