| SpectraBase Compound ID | 93qApCxqzTw |
|---|---|
| InChI | InChI=1S/C12H22O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | VWKQQMFYHXRDNJ-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DxcIBRkgsRs |
|---|---|
| Name | 4-(2,4-Dimethylcyclohexyl)butan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | VWKQQMFYHXRDNJ-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(CCC(C(C1)C)CCC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984191 |