| SpectraBase Compound ID | CnH67O4UHEB |
|---|---|
| InChI | InChI=1S/C19H22F7NO3/c1-4-7-13-8-5-6-9-15(13)30-11-14(28)10-27(12(2)3)16(29)17(20,21)18(22,23)19(24,25)26/h4-6,8-9,12,14,28H,1,7,10-11H2,2-3H3 |
| InChIKey | CVULZKBKFHXFJQ-UHFFFAOYSA-N |
| Mol Weight | 445.38 g/mol |
| Molecular Formula | C19H22F7NO3 |
| Exact Mass | 445.148791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AGiiR1Qb85L |
|---|---|
| Name | Alprenolol, N-heptafluorobutyryl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.148790710 u |
| Formula | C19H22F7NO3 |
| InChI | InChI=1S/C19H22F7NO3/c1-4-7-13-8-5-6-9-15(13)30-11-14(28)10-27(12(2)3)16(29)17(20,21)18(22,23)19(24,25)26/h4-6,8-9,12,14,28H,1,7,10-11H2,2-3H3 |
| InChIKey | CVULZKBKFHXFJQ-UHFFFAOYSA-N |
| Molecular Weight | 445.378 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)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872129 |