| SpectraBase Compound ID | JZs0tOWYa85 |
|---|---|
| InChI | InChI=1S/C13H22O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6,10,12H,4-5,7-9H2,1-3H3 |
| InChIKey | WGWWNPFQPHLSIM-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1sVDmqFTM0n |
|---|---|
| Name | 3-(4-Tert-butyl-1-cyclohexenyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6,10,12H,4-5,7-9H2,1-3H3 |
| InChIKey | WGWWNPFQPHLSIM-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C1=C(CCC(C(C)(C)C)C1)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938866 |