| SpectraBase Compound ID | I0VKq5DajN4 |
|---|---|
| InChI | InChI=1S/C5H5BrF4O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3 |
| InChIKey | UFRGKZCBWHOBAP-UHFFFAOYSA-N |
| Mol Weight | 252.99 g/mol |
| Molecular Formula | C5H5BrF4O2 |
| Exact Mass | 251.940905 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EZFnIHUiua1 |
|---|---|
| Name | Ethyl_2-bromotetrafluoropropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.940905051 u |
| Formula | C5H5BrF4O2 |
| InChI | InChI=1S/C5H5BrF4O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3 |
| InChIKey | UFRGKZCBWHOBAP-UHFFFAOYSA-N |
| Molecular Weight | 252.991 g/mol |
| SMILES | C(OC(=O)C(F)(Br)C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981772 |