| SpectraBase Compound ID | 2uXv9cYZSOk |
|---|---|
| InChI | InChI=1S/C7H9F5O2/c1-4(2)3-14-5(13)6(8,9)7(10,11)12/h4H,3H2,1-2H3 |
| InChIKey | OFRPJUYFZWOIHH-UHFFFAOYSA-N |
| Mol Weight | 220.14 g/mol |
| Molecular Formula | C7H9F5O2 |
| Exact Mass | 220.05227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1cPT6atR2rd |
|---|---|
| Name | Pentafluoropropionic acid, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.052270343 u |
| Formula | C7H9F5O2 |
| InChI | InChI=1S/C7H9F5O2/c1-4(2)3-14-5(13)6(8,9)7(10,11)12/h4H,3H2,1-2H3 |
| InChIKey | OFRPJUYFZWOIHH-UHFFFAOYSA-N |
| Molecular Weight | 220.139 g/mol |
| SMILES | C(C(=O)OCC(C)C)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918731 |