| SpectraBase Compound ID | ExNeOtSfRxi |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | KYVZSXSMBHODIC-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5MiWPjhDqx |
|---|---|
| Name | Hexanoic acid, 4-pentenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | KYVZSXSMBHODIC-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | CCCCCC(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886396 |