| SpectraBase Compound ID | H7lItbXlUME |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+ |
| InChIKey | LUZSWWYKKLTDHU-SIGMCMEVSA-N |
| Mol Weight | 294.43 g/mol |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5mxbZJfEDvj |
|---|---|
| Name | (E,E)-9-Oxooctadeca-10,12-dienoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.219494823 u |
| Formula | C18H30O3 |
| InChI | InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+ |
| InChIKey | LUZSWWYKKLTDHU-SIGMCMEVSA-N |
| SMILES | C(=O)(CCCCCCCC(=O)\C=C\C=C\CCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915118 |