| SpectraBase Compound ID | 1yfMKe9dEiY |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-4-6-8-9-10-16(3)21-19(20)18-14-12-17(13-15-18)11-7-5-2/h9-10,12-16H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | MBAMGAVULWQNEI-MDZDMXLPSA-N |
| Mol Weight | 288.43 g/mol |
| Molecular Formula | C19H28O2 |
| Exact Mass | 288.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKWJel5kjvW |
|---|---|
| Name | 4-Butylbenzoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.208930140 u |
| Formula | C19H28O2 |
| InChI | InChI=1S/C19H28O2/c1-4-6-8-9-10-16(3)21-19(20)18-14-12-17(13-15-18)11-7-5-2/h9-10,12-16H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | MBAMGAVULWQNEI-MDZDMXLPSA-N |
| SMILES | C(=O)(OC(\C=C\CCCC)C)C1=CC=C(CCCC)C=C1 |