| SpectraBase Compound ID | Jn66fy6hnmO |
|---|---|
| InChI | InChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3 |
| InChIKey | RQWGKEUBPFDQRF-UHFFFAOYSA-N |
| Mol Weight | 144.6 g/mol |
| Molecular Formula | C7H9ClO |
| Exact Mass | 144.034193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 77qzDL5l466 |
|---|---|
| Name | 3-Chloro-5-methyl-2-cyclohexen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.034192609 u |
| Formula | C7H9ClO |
| InChI | InChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3 |
| InChIKey | RQWGKEUBPFDQRF-UHFFFAOYSA-N |
| SMILES | C1=C(CC(CC1=O)C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.992913 |