| SpectraBase Compound ID | 1JS59DfpmZP |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-16-14(15)13(5-2)6-3/h13H,4-12H2,1-3H3 |
| InChIKey | CMEOCEDLTVZOBX-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A87PaPhfcJA |
|---|---|
| Name | 2-Ethylbutyric acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-16-14(15)13(5-2)6-3/h13H,4-12H2,1-3H3 |
| InChIKey | CMEOCEDLTVZOBX-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | CCCCCCCCOC(C(CC)CC)=O |