| SpectraBase Compound ID | rQq1kgK5z6 |
|---|---|
| InChI | InChI=1S/C6H7F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2-3H2,1H3 |
| InChIKey | NZZLJQBPSUUZOQ-UHFFFAOYSA-N |
| Mol Weight | 206.11 g/mol |
| Molecular Formula | C6H7F5O2 |
| Exact Mass | 206.03662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bdt5T7dMVTK |
|---|---|
| Name | Pentafluoropropionic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.036620278 u |
| Formula | C6H7F5O2 |
| InChI | InChI=1S/C6H7F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2-3H2,1H3 |
| InChIKey | NZZLJQBPSUUZOQ-UHFFFAOYSA-N |
| Molecular Weight | 206.112 g/mol |
| SMILES | C(C(=O)OCCC)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965623 |