| SpectraBase Compound ID | HxQ6v5KOKBY |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-5-17(6-2,15(19)21-7-3)16(20)22-14-10-8-13(9-11-14)12(4)18/h8-11H,5-7H2,1-4H3 |
| InChIKey | GRNIXVZNIVYKBO-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1rhECI0teD |
|---|---|
| Name | Diethylmalonic acid, 4-acetylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-5-17(6-2,15(19)21-7-3)16(20)22-14-10-8-13(9-11-14)12(4)18/h8-11H,5-7H2,1-4H3 |
| InChIKey | GRNIXVZNIVYKBO-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC1=CC=C(C(C)=O)C=C1)=O)CC |