| SpectraBase Compound ID | 6UWqO11qPCA |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-6-7-8-9-16-13(15)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | IOCHFKDIFYSUKT-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 | 2F1WN1U9XSL |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, pentyl 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/c1-6-7-8-9-16-13(15)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | IOCHFKDIFYSUKT-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(CC(OCCCCC)=O)(CC(C)(C)C)C |