| SpectraBase Compound ID | 6CXkerAx1lP |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-6-19(7-2,17(21)23-12-13(3)4)18(22)24-16-11-9-8-10-15(16)14(5)20/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | DQJKULUDGOSFRM-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVJ7jihTYgx |
|---|---|
| Name | Diethylmalonic acid, 2-acethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-6-19(7-2,17(21)23-12-13(3)4)18(22)24-16-11-9-8-10-15(16)14(5)20/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | DQJKULUDGOSFRM-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)C(C)=O)=O)CC |