| SpectraBase Compound ID | 9BtaPFJvpVd |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+ |
| InChIKey | MAKKQAYXFZLERU-JXMROGBWSA-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 | 8Z93E7CnT7Q |
|---|---|
| Name | 3-Phenylpropionic 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 | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+ |
| InChIKey | MAKKQAYXFZLERU-JXMROGBWSA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC(C)\C=C\CCCC)=O |