| SpectraBase Compound ID | IzPYoGApUEY |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3 |
| InChIKey | SLWMHUHQQGJULD-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkBZlTte9sY |
|---|---|
| Name | 5-Phenylvaleric acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3 |
| InChIKey | SLWMHUHQQGJULD-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC(CCCC)CC)=O)CC=1C=CC=CC1 |