| SpectraBase Compound ID | 74xDfoaEcqE |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-4-7-10-11-14-16-18(15-12-8-5-2)21-19(20)17-13-9-6-3/h18H,4-17H2,1-3H3 |
| InChIKey | JZYPLBFSTVIACS-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 | 6VdkIO8yLqG |
|---|---|
| Name | Hexanoic acid, 6-tridecyl 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/c1-4-7-10-11-14-16-18(15-12-8-5-2)21-19(20)17-13-9-6-3/h18H,4-17H2,1-3H3 |
| InChIKey | JZYPLBFSTVIACS-UHFFFAOYSA-N |
| SMILES | CCCCCC(CCCCCCC)OC(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903594 |