| SpectraBase Compound ID | FKBcsNoCO6w |
|---|---|
| InChI | InChI=1S/C11H18O/c1-8(2)4-10-5-9(3)6-11(12)7-10/h6,8,10H,4-5,7H2,1-3H3 |
| InChIKey | LFZNURWEYDCZJX-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DmRPMv7t1qG |
|---|---|
| Name | 2-Cyclohexen-1-one, 5-isobutyl-3-methyl- |
| 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(2)4-10-5-9(3)6-11(12)7-10/h6,8,10H,4-5,7H2,1-3H3 |
| InChIKey | LFZNURWEYDCZJX-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC(CC1CC(=CC(C1)=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.99594 |