| SpectraBase Compound ID | LSfyMG3iII5 |
|---|---|
| InChI | InChI=1S/C4HF9/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H |
| InChIKey | ZQTIKDIHRRLSRV-UHFFFAOYSA-N |
| Mol Weight | 220.04 g/mol |
| Molecular Formula | C4HF9 |
| Exact Mass | 219.993453 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6DiqRHBiKQ2 |
|---|---|
| Name | 1,1,1,2,2,3,3,4,4-Nonafluorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.993453499 u |
| Formula | C4HF9 |
| InChI | InChI=1S/C4HF9/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H |
| InChIKey | ZQTIKDIHRRLSRV-UHFFFAOYSA-N |
| Molecular Weight | 220.038 g/mol |
| SMILES | C(F)(F)(F)C(F)(F)C(F)(F)C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963528 |