| SpectraBase Compound ID | 6nK53dWTzaI |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3 |
| InChIKey | FDMKQERIIWFJGS-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnxzJJAVdPG |
|---|---|
| Name | 3-Phenylpropionic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3 |
| InChIKey | FDMKQERIIWFJGS-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C1=CC(CCC(OCC(CCCC)CC)=O)=CC=C1 |