| SpectraBase Compound ID | 8Bpz1eJX93v |
|---|---|
| InChI | InChI=1S/C13H22O/c1-11-7-6-9-13(2,3)12(11)8-4-5-10-14/h10H,4-9H2,1-3H3 |
| InChIKey | OWJMPFJAEJZVBS-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 | 2sbPkgqYLKj |
|---|---|
| Name | 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butanal |
| 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/c1-11-7-6-9-13(2,3)12(11)8-4-5-10-14/h10H,4-9H2,1-3H3 |
| InChIKey | OWJMPFJAEJZVBS-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924635 |