| SpectraBase Compound ID | 95vZSDlMgkN |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-5-8-13-23-17(21)19(6-2,7-3)18(22)24-16-11-9-15(10-12-16)14(4)20/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | KOKNKQBDZDTXJR-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 | 2qkYTVz3zSL |
|---|---|
| Name | Diethylmalonic acid, 4-acetylphenyl butyl 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/c1-5-8-13-23-17(21)19(6-2,7-3)18(22)24-16-11-9-15(10-12-16)14(4)20/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | KOKNKQBDZDTXJR-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(C(C(OCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC)C |