| SpectraBase Compound ID | 4siw5pfNDfy |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-6-7-8-9-10-11-12-13-14-21-18(20)15-17(2)16-19(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey | GIFONBUKXIYAFO-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 | 7RD1Sg5sn2J |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, decyl 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/c1-6-7-8-9-10-11-12-13-14-21-18(20)15-17(2)16-19(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey | GIFONBUKXIYAFO-UHFFFAOYSA-N |
| SMILES | C(CC(OCCCCCCCCCC)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850727 |