| SpectraBase Compound ID | 1G7HwZyqfVO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-9-13-22-17(20)19(7-2,8-3)18(21)23-16-12-10-11-14(4)15(16)5/h10-12H,6-9,13H2,1-5H3 |
| InChIKey | VPYRUNVYZZHYDN-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 | HS4o9uRqI7K |
|---|---|
| Name | Diethylmalonic acid, butyl 2,3-dimethylphenyl 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/c1-6-9-13-22-17(20)19(7-2,8-3)18(21)23-16-12-10-11-14(4)15(16)5/h10-12H,6-9,13H2,1-5H3 |
| InChIKey | VPYRUNVYZZHYDN-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |