| SpectraBase Compound ID | 2ejt5NqNKDr |
|---|---|
| InChI | InChI=1S/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2 |
| InChIKey | LYJQMHVYFFZQGY-UHFFFAOYSA-N |
| Mol Weight | 155.02 g/mol |
| Molecular Formula | C5H8Cl2O |
| Exact Mass | 153.99522 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ci8Beum5WzP |
|---|---|
| Name | 3-Pentanone, 1,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.995220277 u |
| Formula | C5H8Cl2O |
| InChI | InChI=1S/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2 |
| InChIKey | LYJQMHVYFFZQGY-UHFFFAOYSA-N |
| SMILES | C(Cl)CC(CCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980209 |