| SpectraBase Compound ID | 7WXz6oVAjXK |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-11(17)9-13(10-12-7-5-4-6-8-12)14(15(18)20-2)16(19)21-3/h4-8,13-14H,9-10H2,1-3H3 |
| InChIKey | AQCDZFRRXVXPSH-UHFFFAOYSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wA5YZ3QXC |
|---|---|
| Name | 1,3-Dimethyl 2-(4-oxo-1-phenylpentan-2-yl)propanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-11(17)9-13(10-12-7-5-4-6-8-12)14(15(18)20-2)16(19)21-3/h4-8,13-14H,9-10H2,1-3H3 |
| InChIKey | AQCDZFRRXVXPSH-UHFFFAOYSA-N |
| SMILES | C(CC1=CC=CC=C1)(C(C(OC)=O)C(OC)=O)CC(C)=O |