| SpectraBase Compound ID | HDFvsVWPpyC |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-7-8-9-12-16-14(15)13(10-5-2)11-6-3/h13H,4-12H2,1-3H3 |
| InChIKey | BFLRTMBOSUOGQO-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 | K82zVTEXUcl |
|---|---|
| Name | Valproic acid, hexyl 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/c1-4-7-8-9-12-16-14(15)13(10-5-2)11-6-3/h13H,4-12H2,1-3H3 |
| InChIKey | BFLRTMBOSUOGQO-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(=O)(OCCCCCC)C(CCC)CCC |