| SpectraBase Compound ID | F5AC3oO84KT |
|---|---|
| InChI | InChI=1S/C9H13ClO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5H2,1-3H3 |
| InChIKey | QRYPTOPEAVUACF-UHFFFAOYSA-N |
| Mol Weight | 172.65 g/mol |
| Molecular Formula | C9H13ClO |
| Exact Mass | 172.065493 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ff1NRXTr48o |
|---|---|
| Name | 3-Chloro-2,5,5-trimethyl-2-cyclohexen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.065492738 u |
| Formula | C9H13ClO |
| InChI | InChI=1S/C9H13ClO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5H2,1-3H3 |
| InChIKey | QRYPTOPEAVUACF-UHFFFAOYSA-N |
| Molecular Weight | 172.655 g/mol |
| SMILES | C1C(C(=C(CC1(C)C)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.99734 |