| SpectraBase Compound ID | Lj6nlisO2LO |
|---|---|
| InChI | InChI=1S/C11H20O/c1-7(2)10-6-5-8(3)11(10)9(4)12/h7-8,10-11H,5-6H2,1-4H3 |
| InChIKey | CHJWUKMEDPBBML-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 | B0LBxmeBqcP |
|---|---|
| Name | 1-(2-Isopropyl-5-methylcyclopentyl)ethanone |
| 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/c1-7(2)10-6-5-8(3)11(10)9(4)12/h7-8,10-11H,5-6H2,1-4H3 |
| InChIKey | CHJWUKMEDPBBML-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | CC(C)C1C(C(=O)C)C(C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968284 |