| SpectraBase Spectrum ID |
9z5DOWToBBU |
| Name |
Alprenolol, N- pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.151984384 u |
| Formula |
C18H22F5NO3 |
| InChI |
InChI=1S/C18H22F5NO3/c1-4-7-13-8-5-6-9-15(13)27-11-14(25)10-24(12(2)3)16(26)17(19,20)18(21,22)23/h4-6,8-9,12,14,25H,1,7,10-11H2,2-3H3 |
| InChIKey |
QEDWALXIAPFSLH-UHFFFAOYSA-N |
| Molecular Weight |
395.370 g/mol |
| SMILES |
C1(=CC=CC=C1CC=C)OCC(CN(C(C)C)C(C(F)(F)C(F)(F)F)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830547 |
