| SpectraBase Compound ID | Khaev8TsyJS |
|---|---|
| InChI | InChI=1S/C15H14N2O4/c1-3-21-15(18)13-8-9-14(16-10(13)2)11-4-6-12(7-5-11)17(19)20/h4-9H,3H2,1-2H3 |
| InChIKey | GFBBEVJAEBSTTJ-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C15H14N2O4 |
| Exact Mass | 286.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcFbwp673UF |
|---|---|
| Name | 2-Methyl-6-(4-nitro-phenyl)-nicotinic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.095356935 u |
| Formula | C15H14N2O4 |
| InChI | InChI=1S/C15H14N2O4/c1-3-21-15(18)13-8-9-14(16-10(13)2)11-4-6-12(7-5-11)17(19)20/h4-9H,3H2,1-2H3 |
| InChIKey | GFBBEVJAEBSTTJ-UHFFFAOYSA-N |
| Molecular Weight | 286.287 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(C2=NC(C)=C(C=C2)C(=O)OCC)=CC1 |