| SpectraBase Compound ID | FI2g7TOMzAP |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-8-12-22-17(20)19(6-2,7-3)18(21)23-14-16-11-9-10-15(4)13-16/h9-11,13H,5-8,12,14H2,1-4H3 |
| InChIKey | XNZZNQNBFPAGQW-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 | 4e85OAdv84x |
|---|---|
| Name | Diethylmalonic acid, butyl 3-methylbenzyl 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/c1-5-8-12-22-17(20)19(6-2,7-3)18(21)23-14-16-11-9-10-15(4)13-16/h9-11,13H,5-8,12,14H2,1-4H3 |
| InChIKey | XNZZNQNBFPAGQW-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC |