| SpectraBase Compound ID | 3bDXEsxNaBm |
|---|---|
| InChI | InChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2-3H2,1H3 |
| InChIKey | YBTCBNQUROAZJL-UHFFFAOYSA-N |
| Mol Weight | 140.11 g/mol |
| Molecular Formula | C5H7F3O |
| Exact Mass | 140.044899 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | jtp3BNrm57 |
|---|---|
| Name | 3-Pentanone, 1,1,1-trifluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.044899333 u |
| Formula | C5H7F3O |
| InChI | InChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2-3H2,1H3 |
| InChIKey | YBTCBNQUROAZJL-UHFFFAOYSA-N |
| Molecular Weight | 140.105 g/mol |
| SMILES | CCC(CC(F)(F)F)=O |
| Spectrum/Structure Validation Score (Raman) | 0.964782 |