| SpectraBase Compound ID | 87eX9ZpWILa |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-4-7-9-10-11-12-13-14-15-16-18(6-3)21-19(20)17-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | XZPRQWWYBIOTNB-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 | 5ErfBW3cNFG |
|---|---|
| Name | Valeric acid, 3-tetradecyl 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/c1-4-7-9-10-11-12-13-14-15-16-18(6-3)21-19(20)17-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | XZPRQWWYBIOTNB-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CCCCCCCCCCC)CC)=O)CC |