| SpectraBase Compound ID | 4iJTKJcCAni |
|---|---|
| InChI | 1S/C19H36O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h3-17H2,1-2H3 |
| InChIKey | YZQUPDATKHOMLU-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C19H36O3 |
| Exact Mass | 312.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXVq1oKllsh |
|---|---|
| Name | Methyl-10-oxo-octadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.266445016 u |
| Formula | C19H36O3 |
| InChI | InChI=1S/C19H36O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h3-17H2,1-2H3 |
| InChIKey | YZQUPDATKHOMLU-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCCCCCC(=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892563 |