| SpectraBase Compound ID | GDH0sXQdSsF |
|---|---|
| InChI | InChI=1S/C7H9F3O2/c1-4(11)3-6(5(2)12)7(8,9)10/h6H,3H2,1-2H3 |
| InChIKey | PMSAGFITTMDSET-UHFFFAOYSA-N |
| Mol Weight | 182.14 g/mol |
| Molecular Formula | C7H9F3O2 |
| Exact Mass | 182.055464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8gbD58gsVWe |
|---|---|
| Name | 3-Trifluoromethyl-hexane-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.055464017 u |
| Formula | C7H9F3O2 |
| InChI | InChI=1S/C7H9F3O2/c1-4(11)3-6(5(2)12)7(8,9)10/h6H,3H2,1-2H3 |
| InChIKey | PMSAGFITTMDSET-UHFFFAOYSA-N |
| Molecular Weight | 182.142 g/mol |
| SMILES | C(C(F)(F)F)(C(=O)C)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948879 |