| SpectraBase Compound ID | CkFJAbsq0L2 |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-3-4-5-7-12-17(2)21-19(20)16-11-10-15-18-13-8-6-9-14-18/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3/b12-7+ |
| InChIKey | PKEKAUQVNKEXQR-KPKJPENVSA-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 | LFySwybV9rS |
|---|---|
| Name | 5-Phenylvaleric 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/c1-3-4-5-7-12-17(2)21-19(20)16-11-10-15-18-13-8-6-9-14-18/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3/b12-7+ |
| InChIKey | PKEKAUQVNKEXQR-KPKJPENVSA-N |
| SMILES | C(CCC(OC(\C=C\CCCC)C)=O)CC=1C=CC=CC1 |