| SpectraBase Compound ID | EsynfzLlmEl |
|---|---|
| InChI | InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+ |
| InChIKey | YOPMSDPIOQUWFE-XYOKQWHBSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C13H13NO5 |
| Exact Mass | 263.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nWgduFunAN |
|---|---|
| Name | Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.079372518 u |
| Formula | C13H13NO5 |
| InChI | InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+ |
| InChIKey | YOPMSDPIOQUWFE-XYOKQWHBSA-N |
| Molecular Weight | 263.249 g/mol |
| SMILES | C(\C(C(C)=O)=C\C=1C=C(C=CC1)N(=O)=O)(=O)OCC |