| SpectraBase Compound ID | 2ZYAntOGCeW |
|---|---|
| InChI | InChI=1S/C11H20O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | JGYXZPNVMBFKCA-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8T7tpLIuJlz |
|---|---|
| Name | 1-Cyclohexyl-3-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | JGYXZPNVMBFKCA-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1CCCC(C1)CCC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967625 |