| SpectraBase Compound ID | 87D51IfcE87 |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-7-13(2)12-17-15(16)11-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey | DMLLNUIUGYQCJQ-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LO68zycTiYa |
|---|---|
| Name | 3-Phenylpropionic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-7-13(2)12-17-15(16)11-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey | DMLLNUIUGYQCJQ-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OCC(CCC)C |