| SpectraBase Compound ID | EmJj6oytyxW |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-3-19-14(17)13(15(18)20-4-2)9-11-6-5-7-12(8-11)10-16/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | ZINCBOLZVFBFBX-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C15H17NO4 |
| Exact Mass | 275.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHFImE6NHf8 |
|---|---|
| Name | (m-Cyanobenzyl)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.115758027 u |
| Formula | C15H17NO4 |
| InChI | InChI=1S/C15H17NO4/c1-3-19-14(17)13(15(18)20-4-2)9-11-6-5-7-12(8-11)10-16/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | ZINCBOLZVFBFBX-UHFFFAOYSA-N |
| SMILES | C=1C=C(C=C(C1)C#N)CC(C(OCC)=O)C(OCC)=O |