| SpectraBase Compound ID | 9fb5leIqzS0 |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-4-21-12-6-7-15(22-5-2)13(10-12)14(18)8-11(17)9-16(19)20-3/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChIKey | ZVPRWZBWDTWRDR-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C16H20O6 |
| Exact Mass | 308.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXDePdzt5y2 |
|---|---|
| Name | Methyl 3,5-dioxo-5-(2',5'-diethoxyphenyl)pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.125988358 u |
| Formula | C16H20O6 |
| InChI | InChI=1S/C16H20O6/c1-4-21-12-6-7-15(22-5-2)13(10-12)14(18)8-11(17)9-16(19)20-3/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChIKey | ZVPRWZBWDTWRDR-UHFFFAOYSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | C=1(C(CC(CC(=O)OC)=O)=O)C(=CC=C(C1)OCC)OCC |