| SpectraBase Compound ID | 5xRmlyo27Jn |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-3-5-7-9-10-11-12-13-14-15-17-19(20)21-18-16-8-6-4-2/h3-18H2,1-2H3 |
| InChIKey | CYOONLPPEGKHED-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C19H38O2 |
| Exact Mass | 298.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LFBVoq8kKmx |
|---|---|
| Name | Tridecanoic acid, hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.287180462 u |
| Formula | C19H38O2 |
| InChI | InChI=1S/C19H38O2/c1-3-5-7-9-10-11-12-13-14-15-17-19(20)21-18-16-8-6-4-2/h3-18H2,1-2H3 |
| InChIKey | CYOONLPPEGKHED-UHFFFAOYSA-N |
| SMILES | C(CCC(OCCCCCC)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910258 |