| SpectraBase Compound ID | yOLaflTxmd |
|---|---|
| InChI | InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3 |
| InChIKey | APNSUHRNUVUCIP-UHFFFAOYSA-N |
| Mol Weight | 120.58 g/mol |
| Molecular Formula | C5H9ClO |
| Exact Mass | 120.034193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4lu7pQ3z6iG |
|---|---|
| Name | 1-Chloro-3-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.034192609 u |
| Formula | C5H9ClO |
| InChI | InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3 |
| InChIKey | APNSUHRNUVUCIP-UHFFFAOYSA-N |
| Molecular Weight | 120.579 g/mol |
| SMILES | C(Cl)CC(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.899908 |