| SpectraBase Compound ID | 85EVol0jgFV |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-12-21-16(19)18(7-3,8-4)17(20)22-15-11-9-10-14(6-2)13-15/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | JDPATFBIHLWGHQ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | iYoqs6AyK1 |
|---|---|
| Name | Diethylmalonic acid, 3-ethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-12-21-16(19)18(7-3,8-4)17(20)22-15-11-9-10-14(6-2)13-15/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | JDPATFBIHLWGHQ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC1=CC=CC(=C1)OC(C(C(OCCC)=O)(CC)CC)=O |