| SpectraBase Compound ID | 8BQiZ8BrjRY |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-13(2)7-6-12-17-15(16)11-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3 |
| InChIKey | JTXVAKGSFKRROP-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 | IoQBbjNlkI9 |
|---|---|
| Name | 3-Phenylpropionic acid, 4-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/c1-13(2)7-6-12-17-15(16)11-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3 |
| InChIKey | JTXVAKGSFKRROP-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=CC(CCC(OCCCC(C)C)=O)=CC=C1 |