| SpectraBase Compound ID | 29Ba5ULQADI |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-13-10-9-11-14(12-13)21-16(19)17(6-2,7-3)15(18)20-8-4/h9-12H,5-8H2,1-4H3 |
| InChIKey | SGPPDCHWYGDGOW-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 | Kdq78wuIeuA |
|---|---|
| Name | Diethylmalonic acid, ethyl 3-ethylphenyl 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/c1-5-13-10-9-11-14(12-13)21-16(19)17(6-2,7-3)15(18)20-8-4/h9-12H,5-8H2,1-4H3 |
| InChIKey | SGPPDCHWYGDGOW-UHFFFAOYSA-N |
| SMILES | CCC(C(OCC)=O)(C(OC1=CC(CC)=CC=C1)=O)CC |