| SpectraBase Compound ID | ghtRaHNYdN |
|---|---|
| InChI | InChI=1S/C12H22O/c1-5-6-12(4)8-10(13)7-11(2,3)9-12/h5-9H2,1-4H3 |
| InChIKey | YJYAWHZIAIPEFU-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 | BapwfWuxiiM |
|---|---|
| Name | 3,3,5-Trimethyl-5-propylcyclohexan-1-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/c1-5-6-12(4)8-10(13)7-11(2,3)9-12/h5-9H2,1-4H3 |
| InChIKey | YJYAWHZIAIPEFU-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(=O)CC(CC(C1)(C)C)(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851131 |