| SpectraBase Compound ID | GZeQiIChZP5 |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2 |
| InChIKey | UECFOOSFSUDPOR-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BqHBXE6H36e |
|---|---|
| Name | Allyl cyclohexylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2 |
| InChIKey | UECFOOSFSUDPOR-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(CC1CCCCC1)(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958964 |