| SpectraBase Compound ID | EYwit144rzO |
|---|---|
| InChI | InChI=1S/C8H9F3O4/c1-2-15-7(14)4-5(12)3-6(13)8(9,10)11/h2-4H2,1H3 |
| InChIKey | GHLMSMQTOFPDFV-UHFFFAOYSA-N |
| Mol Weight | 226.15 g/mol |
| Molecular Formula | C8H9F3O4 |
| Exact Mass | 226.045293 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1fugqJMLEJg |
|---|---|
| Name | Ethyl 6,6,6-trifluoro-3,5-dioxohexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.045293255 u |
| Formula | C8H9F3O4 |
| InChI | InChI=1S/C8H9F3O4/c1-2-15-7(14)4-5(12)3-6(13)8(9,10)11/h2-4H2,1H3 |
| InChIKey | GHLMSMQTOFPDFV-UHFFFAOYSA-N |
| Molecular Weight | 226.151 g/mol |
| SMILES | C(C(CC(CC(=O)OCC)=O)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987258 |