| SpectraBase Compound ID | 3p1A4H9bLL3 |
|---|---|
| InChI | InChI=1S/C5H6F2O2/c1-4(8)9-3-2-5(6)7/h2H,3H2,1H3 |
| InChIKey | SFMCWVFEKGYGMH-UHFFFAOYSA-N |
| Mol Weight | 136.1 g/mol |
| Molecular Formula | C5H6F2O2 |
| Exact Mass | 136.033586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EzpuuQiJz3L |
|---|---|
| Name | 2-Propen-1-ol, 3,3-difluoro-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.033585757 u |
| Formula | C5H6F2O2 |
| InChI | InChI=1S/C5H6F2O2/c1-4(8)9-3-2-5(6)7/h2H,3H2,1H3 |
| InChIKey | SFMCWVFEKGYGMH-UHFFFAOYSA-N |
| Molecular Weight | 136.098 g/mol |
| SMILES | C(COC(C)=O)=C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965418 |