| SpectraBase Compound ID | 7CPlZ2mrjct |
|---|---|
| InChI | InChI=1S/C14H17NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-5-7-11(8-6-10)15(18)19/h5-8,12H,3-4,9H2,1-2H3 |
| InChIKey | DDENYKBUELXLAQ-UHFFFAOYSA-N |
| Mol Weight | 295.29 g/mol |
| Molecular Formula | C14H17NO6 |
| Exact Mass | 295.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ce4k0yLd3D7 |
|---|---|
| Name | (p-Nitrobenzyl)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.105587265 u |
| Formula | C14H17NO6 |
| InChI | InChI=1S/C14H17NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-5-7-11(8-6-10)15(18)19/h5-8,12H,3-4,9H2,1-2H3 |
| InChIKey | DDENYKBUELXLAQ-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)CC(C(OCC)=O)C(OCC)=O |