| SpectraBase Compound ID | AdJwmdxPyMp |
|---|---|
| InChI | InChI=1S/C11H20O/c1-2-3-8-11(12)9-10-6-4-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | YGPWCHHZODVNQV-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 | DA16lMZcpuR |
|---|---|
| Name | 1-Cyclopentyl-2-hexanone |
| 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/c1-2-3-8-11(12)9-10-6-4-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | YGPWCHHZODVNQV-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(C(CCCC)=O)C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942922 |