| SpectraBase Compound ID | GRzyEb9HZqV |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-12-20-15(18)17(2,3)16(19)21-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3 |
| InChIKey | DEZPNESOACKNSA-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kpV7O4xCMu |
|---|---|
| Name | Dimethylmalonic acid, 3-phenylpropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-12-20-15(18)17(2,3)16(19)21-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3 |
| InChIKey | DEZPNESOACKNSA-UHFFFAOYSA-N |
| SMILES | CCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |