| SpectraBase Compound ID | 2hYhXjW1d5 |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3/b13-11+ |
| InChIKey | RSDRNZAHWSORFS-ACCUITESSA-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 | 1EfRgnylwcR |
|---|---|
| Name | 3-Octenoic acid, nonyl 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/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3/b13-11+ |
| InChIKey | RSDRNZAHWSORFS-ACCUITESSA-N |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920747 |