| SpectraBase Compound ID | LEdMgx6aDg3 |
|---|---|
| InChI | InChI=1S/C14H15NO4/c1-3-19-13(16)11(9-15)8-10-6-4-5-7-12(10)14(17)18-2/h4-7,11H,3,8H2,1-2H3 |
| InChIKey | SUZBHVXGTJUXSX-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C14H15NO4 |
| Exact Mass | 261.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eiFqCP2zcb |
|---|---|
| Name | Methyl 2-(2-cyano-3-ethoxy-3-oxopropyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.100107963 u |
| Formula | C14H15NO4 |
| InChI | InChI=1S/C14H15NO4/c1-3-19-13(16)11(9-15)8-10-6-4-5-7-12(10)14(17)18-2/h4-7,11H,3,8H2,1-2H3 |
| InChIKey | SUZBHVXGTJUXSX-UHFFFAOYSA-N |
| Molecular Weight | 261.277 g/mol |
| SMILES | C(C(=O)OCC)(C#N)CC=1C(C(=O)OC)=CC=CC1 |