| SpectraBase Compound ID | FirlWPUf27E |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-25-23(24)22(19-5-2)20-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | NKNMZKVGWANXAC-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lk9PBnv3QGS |
|---|---|
| Name | Valproic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-25-23(24)22(19-5-2)20-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | NKNMZKVGWANXAC-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCC)C(CCC)CCC |