| SpectraBase Compound ID | L3Gn3su6G84 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-9-13-22-17(20)19(7-3,8-4)18(21)23-16-12-10-11-15(6-2)14-16/h10-12,14H,5-9,13H2,1-4H3 |
| InChIKey | ULQOIUOXHMEGCS-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASJhAEb3kEc |
|---|---|
| Name | Diethylmalonic acid, butyl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-9-13-22-17(20)19(7-3,8-4)18(21)23-16-12-10-11-15(6-2)14-16/h10-12,14H,5-9,13H2,1-4H3 |
| InChIKey | ULQOIUOXHMEGCS-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC1=CC=CC(=C1)OC(C(C(OCCCC)=O)(CC)CC)=O |