| SpectraBase Compound ID | uiM2w5GWJU |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-10+ |
| InChIKey | PVZVJEAWIPTITN-JLHYYAGUSA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C17H24O2 |
| Exact Mass | 260.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWyZMpet3Ce |
|---|---|
| Name | Octanoic acid, 3-phenyl-2-propenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-10+ |
| InChIKey | PVZVJEAWIPTITN-JLHYYAGUSA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | C1=CC=CC=C1\C=C\COC(=O)CCCCCCC |