| SpectraBase Compound ID | 1i3XzBzHNJc |
|---|---|
| InChI | InChI=1S/C5H8ClFO/c1-3-4(8)5(2,6)7/h3H2,1-2H3 |
| InChIKey | YOIAYESKHZSNGQ-UHFFFAOYSA-N |
| Mol Weight | 138.57 g/mol |
| Molecular Formula | C5H8ClFO |
| Exact Mass | 138.024771 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6viidmGaVwi |
|---|---|
| Name | 2-Chloranyl-2-fluoranyl-pentan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.024770740 u |
| Formula | C5H8ClFO |
| InChI | InChI=1S/C5H8ClFO/c1-3-4(8)5(2,6)7/h3H2,1-2H3 |
| InChIKey | YOIAYESKHZSNGQ-UHFFFAOYSA-N |
| Molecular Weight | 138.569 g/mol |
| SMILES | C(C(=O)CC)(F)(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924468 |