| SpectraBase Compound ID | FxHSxCCdQsi |
|---|---|
| InChI | InChI=1S/C12H22O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h10H,4-9H2,1-3H3 |
| InChIKey | VRNWCRVRHPXEIV-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 | 5UlAeEMYhsS |
|---|---|
| Name | Cyclohexanone, 3-(3,3-dimethylbutyl)- |
| 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/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h10H,4-9H2,1-3H3 |
| InChIKey | VRNWCRVRHPXEIV-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1CCC(CC1=O)CCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919297 |