| SpectraBase Compound ID | ARqTh3txIcZ |
|---|---|
| InChI | InChI=1S/C4H4ClF5/c5-2-3(6,7)1-4(8,9)10/h1-2H2 |
| InChIKey | FXVNTXMAEDEPNT-UHFFFAOYSA-N |
| Mol Weight | 182.52 g/mol |
| Molecular Formula | C4H4ClF5 |
| Exact Mass | 181.992169 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bymd21BjT0y |
|---|---|
| Name | 4-Chloro-1,1,1,3,3-pentafluorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.992168644 u |
| Formula | C4H4ClF5 |
| InChI | InChI=1S/C4H4ClF5/c5-2-3(6,7)1-4(8,9)10/h1-2H2 |
| InChIKey | FXVNTXMAEDEPNT-UHFFFAOYSA-N |
| Molecular Weight | 182.521 g/mol |
| SMILES | C(C(CC(F)(F)F)(F)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877523 |