| SpectraBase Compound ID | 3rpb6vPIyDq |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h4H,2-3,5-16H2,1H3 |
| InChIKey | VBUSXVZNPXVGHR-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Oc24SbnJDe |
|---|---|
| Name | Dodecanoic acid, 4-penten-1-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h4H,2-3,5-16H2,1H3 |
| InChIKey | VBUSXVZNPXVGHR-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCCCCCCCC)OCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945962 |