| SpectraBase Compound ID | 1nZsgkLFqjP |
|---|---|
| InChI | InChI=1S/C23H21F14NO4/c1-4-7-13-8-5-6-9-15(13)41-11-14(42-17(40)19(26,27)21(30,31)23(35,36)37)10-38(12(2)3)16(39)18(24,25)20(28,29)22(32,33)34/h4-6,8-9,12,14H,1,7,10-11H2,2-3H3 |
| InChIKey | DBANNUCXAQOZMF-UHFFFAOYSA-N |
| Mol Weight | 641.4 g/mol |
| Molecular Formula | C23H21F14NO4 |
| Exact Mass | 641.124702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2jhAKnLUgwB |
|---|---|
| Name | Alprenolol, N,o-di(heptafluorobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 641.124702438 u |
| Formula | C23H21F14NO4 |
| InChI | InChI=1S/C23H21F14NO4/c1-4-7-13-8-5-6-9-15(13)41-11-14(42-17(40)19(26,27)21(30,31)23(35,36)37)10-38(12(2)3)16(39)18(24,25)20(28,29)22(32,33)34/h4-6,8-9,12,14H,1,7,10-11H2,2-3H3 |
| InChIKey | DBANNUCXAQOZMF-UHFFFAOYSA-N |
| Molecular Weight | 641.402 g/mol |
| SMILES | C1(=CC=CC=C1CC=C)OCC(CN(C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |