| SpectraBase Compound ID | IK1h1jaaoDb |
|---|---|
| InChI | InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h6,10H,5,7H2,1-4H3 |
| InChIKey | XFMMYPDDHPSAIH-UHFFFAOYSA-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 | CILcNmBzbKn |
|---|---|
| Name | 1-(2,6,6-Trimethyl-1-cyclohex-2-enyl)ethanone |
| 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/c1-8-6-5-7-11(3,4)10(8)9(2)12/h6,10H,5,7H2,1-4H3 |
| InChIKey | XFMMYPDDHPSAIH-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(C(=CCCC1(C)C)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970208 |