| SpectraBase Compound ID | CTXcasXqx2T |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-7-9-12-14(15)16-13(10-6-3)11-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | WIFDYGVLPJUPQQ-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 | GewOI6rPZZy |
|---|---|
| Name | Hexanoic acid, 4-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/c1-4-7-9-12-14(15)16-13(10-6-3)11-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | WIFDYGVLPJUPQQ-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | CCCCCC(OC(CCCC)CCC)=O |