| SpectraBase Compound ID | 8TRTG4K8Zyf |
|---|---|
| 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/h13,15H,3-12,14,16-18H2,1-2H3/b15-13+ |
| InChIKey | MNPJNTQGBSAOGZ-FYWRMAATSA-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 | DtU8IcaZyLo |
|---|---|
| Name | 3-Octenoic acid, undecyl 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/h13,15H,3-12,14,16-18H2,1-2H3/b15-13+ |
| InChIKey | MNPJNTQGBSAOGZ-FYWRMAATSA-N |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880065 |