| SpectraBase Compound ID | 7eVjjY9Ijbp |
|---|---|
| InChI | InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H |
| InChIKey | YBZPZJWPSHBGOR-UHFFFAOYSA-N |
| Mol Weight | 166.06 g/mol |
| Molecular Formula | C5HF3O3 |
| Exact Mass | 165.987778 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EQvjRXapTGK |
|---|---|
| Name | 3-(Trifluoromethyl)furan-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.987778378 u |
| Formula | C5HF3O3 |
| InChI | InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H |
| InChIKey | YBZPZJWPSHBGOR-UHFFFAOYSA-N |
| Molecular Weight | 166.055 g/mol |
| SMILES | C=1(C(OC(C1)=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972172 |