| SpectraBase Compound ID | 2O63UZ6OuWY |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-5-12-22-16(20)18(6-2,7-3)17(21)23-15-10-8-14(9-11-15)13(4)19/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | FAHSBXLYNCZBJJ-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tgKgpWbj6g |
|---|---|
| Name | Diethylmalonic acid, 4-acetylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-5-12-22-16(20)18(6-2,7-3)17(21)23-15-10-8-14(9-11-15)13(4)19/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | FAHSBXLYNCZBJJ-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC1=CC=C(C(C)=O)C=C1)=O)CC |