| SpectraBase Compound ID | 4aj1MkvU1U1 |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-6-15-7-8-16-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3 |
| InChIKey | HJZJPDVJUZKWJK-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C13H26O3 |
| Exact Mass | 230.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANC2abHCVmD |
|---|---|
| Name | 2-Ethoxyethyl 3,5,5-trimethylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.188194694 u |
| Formula | C13H26O3 |
| InChI | InChI=1S/C13H26O3/c1-6-15-7-8-16-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3 |
| InChIKey | HJZJPDVJUZKWJK-UHFFFAOYSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | CCOCCOC(CC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994053 |