| SpectraBase Compound ID | PA519pLPVQ |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-5-9-10-11-12-13-14-15-16-17-19(6-2,7-3)18(20)21-8-4/h5-17H2,1-4H3 |
| InChIKey | UTQRHDYABSVKJN-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 | D3HP6cf9Kfr |
|---|---|
| Name | Tridecanoic acid, 2,2-diethyl-, ethyl 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/c1-5-9-10-11-12-13-14-15-16-17-19(6-2,7-3)18(20)21-8-4/h5-17H2,1-4H3 |
| InChIKey | UTQRHDYABSVKJN-UHFFFAOYSA-N |
| SMILES | C(CCCC(C(OCC)=O)(CC)CC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946238 |