| SpectraBase Compound ID | G9suqJfhMd |
|---|---|
| InChI | InChI=1S/C4H4BrF5/c5-2-1-3(6,7)4(8,9)10/h1-2H2 |
| InChIKey | YAPVBRYHZPNRIW-UHFFFAOYSA-N |
| Mol Weight | 226.97 g/mol |
| Molecular Formula | C4H4BrF5 |
| Exact Mass | 225.941654 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 95Jsg87W6lv |
|---|---|
| Name | 4-Bromo-1,1,1,2,2-pentafluorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.941653944 u |
| Formula | C4H4BrF5 |
| InChI | InChI=1S/C4H4BrF5/c5-2-1-3(6,7)4(8,9)10/h1-2H2 |
| InChIKey | YAPVBRYHZPNRIW-UHFFFAOYSA-N |
| Molecular Weight | 226.972 g/mol |
| SMILES | C(C(F)(F)F)(CCBr)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906438 |