| SpectraBase Compound ID | 2UXEf11ya7E |
|---|---|
| InChI | InChI=1S/C10H18O/c1-4-10(3)6-5-9(11)7-8(10)2/h8H,4-7H2,1-3H3 |
| InChIKey | QTLPQJJMLOKWME-UHFFFAOYSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | SpRhj5gjTF |
|---|---|
| Name | Cyclohexanone, 4-ethyl-3,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-4-10(3)6-5-9(11)7-8(10)2/h8H,4-7H2,1-3H3 |
| InChIKey | QTLPQJJMLOKWME-UHFFFAOYSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | CCC1(C)C(C)CC(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965046 |