| SpectraBase Compound ID | A9VTSPpBR8A |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-5-22-14(19)16(3,15(20)23-6-2)13(18)17-11-7-9-12(21-4)10-8-11/h7-10H,5-6H2,1-4H3,(H,17,18) |
| InChIKey | DEFNYJNNZOQYSE-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGXmKCi4Xev |
|---|---|
| Name | p-Methoxyphenylcarbonylmalonic acid, ediethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-5-22-14(19)16(3,15(20)23-6-2)13(18)17-11-7-9-12(21-4)10-8-11/h7-10H,5-6H2,1-4H3,(H,17,18) |
| InChIKey | DEFNYJNNZOQYSE-UHFFFAOYSA-N |
| SMILES | N(c1ccc(cc1)OC)C(=O)C(C(=O)OCC)(C)C(=O)OCC |