| SpectraBase Compound ID | 2TQsH5VlKgk |
|---|---|
| InChI | InChI=1S/C11H18O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h4,7,10-11H,1-3,5-6,8-9H2/b7-4- |
| InChIKey | CYBHEOPAEKWNPL-DAXSKMNVSA-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 | F4cL9oLM0EL |
|---|---|
| Name | 3-(Cyclooct-2-enyl)propionaldehyde |
| 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/c12-10-6-9-11-7-4-2-1-3-5-8-11/h4,7,10-11H,1-3,5-6,8-9H2/b7-4- |
| InChIKey | CYBHEOPAEKWNPL-DAXSKMNVSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C(CCC1\C=C/CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973424 |