| SpectraBase Compound ID | A0CXWBHG5WQ |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-4-7-8-9-10-11-12-13-14-17-21-19(20)18(15-5-2)16-6-3/h18H,4-17H2,1-3H3 |
| InChIKey | NXMQIQUIMLKITH-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C19H38O2 |
| Exact Mass | 298.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aVJddReLbX |
|---|---|
| Name | Valproic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.287180462 u |
| Formula | C19H38O2 |
| InChI | InChI=1S/C19H38O2/c1-4-7-8-9-10-11-12-13-14-17-21-19(20)18(15-5-2)16-6-3/h18H,4-17H2,1-3H3 |
| InChIKey | NXMQIQUIMLKITH-UHFFFAOYSA-N |
| SMILES | C(=O)(OCCCCCCCCCCC)C(CCC)CCC |