| SpectraBase Compound ID | EhmAjn02dPe |
|---|---|
| InChI | InChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+ |
| InChIKey | ROKPPNKCHMVDGR-MDZDMXLPSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7onca9fRuBS |
|---|---|
| Name | Cyclohexyl 2-methyl-1-butenyl ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+ |
| InChIKey | ROKPPNKCHMVDGR-MDZDMXLPSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(\C=C\(CC)C)(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820144 |