| SpectraBase Compound ID | 31RZ8CcNQ4b |
|---|---|
| InChI | InChI=1S/C5H4F6O2/c6-4(7,8)3(13,1-2-12)5(9,10)11/h2,13H,1H2 |
| InChIKey | FKCDFZGOYGIBAZ-UHFFFAOYSA-N |
| Mol Weight | 210.08 g/mol |
| Molecular Formula | C5H4F6O2 |
| Exact Mass | 210.011548 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IalcIeG0ihr |
|---|---|
| Name | 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.011548345 u |
| Formula | C5H4F6O2 |
| InChI | InChI=1S/C5H4F6O2/c6-4(7,8)3(13,1-2-12)5(9,10)11/h2,13H,1H2 |
| InChIKey | FKCDFZGOYGIBAZ-UHFFFAOYSA-N |
| Molecular Weight | 210.075 g/mol |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(CC=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886121 |