| SpectraBase Compound ID | CyxEoQoWtkZ |
|---|---|
| InChI | InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 |
| InChIKey | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
| Mol Weight | 112.051 g/mol |
| Molecular Formula | C3H3F3O |
| Exact Mass | 112.013599 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BiCZ7P8tGfk |
|---|---|
| Name | 1,1,1-Trifluoro-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.013599205 u |
| Formula | C3H3F3O |
| InChI | InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 |
| InChIKey | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
| Molecular Weight | 112.051 g/mol |
| SMILES | C(F)(F)(F)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.873004 |