| SpectraBase Compound ID | LglgoksIAK1 |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14+ |
| InChIKey | AZGGPZCFLRSOBV-JQIJEIRASA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8IQwtVV8HqL |
|---|---|
| Name | Octanoic acid, undec-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14+ |
| InChIKey | AZGGPZCFLRSOBV-JQIJEIRASA-N |
| SMILES | CCCCCCCC(=O)OC\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974988 |