| SpectraBase Compound ID | LybNTafNeLf |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | QRNFTMKPBPCPJO-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CwX17jM70fs |
|---|---|
| Name | Hexanoic acid, 2-ethylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | QRNFTMKPBPCPJO-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | CCC(CCCC)COC(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990231 |