| SpectraBase Compound ID | OaONudFze1 |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-3-20-15(18)13(5-4-10-16)14(17)11-6-8-12(19-2)9-7-11/h6-9,13H,3-5H2,1-2H3 |
| InChIKey | UPIIKLOXRRJVAJ-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 | 5pkaKGppWlQ |
|---|---|
| Name | Ethyl 4-cyano-2-(4-methoxybenzoyl)butanoate |
| 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/c1-3-20-15(18)13(5-4-10-16)14(17)11-6-8-12(19-2)9-7-11/h6-9,13H,3-5H2,1-2H3 |
| InChIKey | UPIIKLOXRRJVAJ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)OC)C(C(C(OCC)=O)CCC#N)=O |