| SpectraBase Compound ID | DKuX7751B28 |
|---|---|
| InChI | InChI=1S/C12H22O/c1-9-5-4-6-10(2)12(9)8-7-11(3)13/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | IDOOZJDBFKJMEF-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KynNLdK6Cx4 |
|---|---|
| Name | 4-(2,6-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/c1-9-5-4-6-10(2)12(9)8-7-11(3)13/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | IDOOZJDBFKJMEF-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1CC(C(C(C1)C)CCC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977471 |