| SpectraBase Compound ID | 24jbRI0AAWN |
|---|---|
| InChI | InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2 |
| InChIKey | PPXVPFPTMXFUDE-UHFFFAOYSA-N |
| Mol Weight | 273.97 g/mol |
| Molecular Formula | C4H4F5I |
| Exact Mass | 273.927786 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FhTa1VeDo8a |
|---|---|
| Name | Butane, 1,1,1,2,2-pentafluoro-4-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.927785944 u |
| Formula | C4H4F5I |
| InChI | InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2 |
| InChIKey | PPXVPFPTMXFUDE-UHFFFAOYSA-N |
| Molecular Weight | 273.972 g/mol |
| SMILES | C(C(CCI)(F)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913217 |