| SpectraBase Compound ID | 6pQjGW2bDPC |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h9-15H,2-8,16-18H2,1H3/b13-9+ |
| InChIKey | PPSMSYBRCIUADP-UKTHLTGXSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErwWXaODon5 |
|---|---|
| Name | 3-Phenylpropionic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h9-15H,2-8,16-18H2,1H3/b13-9+ |
| InChIKey | PPSMSYBRCIUADP-UKTHLTGXSA-N |
| SMILES | C1=CC=CC(=C1)CCC(=O)OC\C=C\CCCCCCCC |