| SpectraBase Compound ID | 4XVdEH0Slfh |
|---|---|
| InChI | InChI=1S/C11H18O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4,8,10H,5-7H2,1-3H3 |
| InChIKey | IIQYLRXVQJPYRV-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | uw7TybK11Q |
|---|---|
| Name | 4-Tert-butyl-1-cyclohexenecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4,8,10H,5-7H2,1-3H3 |
| InChIKey | IIQYLRXVQJPYRV-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(=CCC(C(C)(C)C)CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982249 |