| SpectraBase Compound ID | KRKQydlZCLU |
|---|---|
| InChI | InChI=1S/C11H18O/c1-3-7-11(4-2)8-5-6-10(12)9-11/h3H,1,4-9H2,2H3/t11-/m1/s1 |
| InChIKey | YRPFKQXEYAOJHK-LLVKDONJSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3RJAHg9OUvy |
|---|---|
| Name | (3S*)-3-Allyl-3-ethylcyclohexan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-3-7-11(4-2)8-5-6-10(12)9-11/h3H,1,4-9H2,2H3/t11-/m1/s1 |
| InChIKey | YRPFKQXEYAOJHK-LLVKDONJSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | [C@]1(CC(=O)CCC1)(CC=C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869653 |