| SpectraBase Compound ID | BjgKaU2j8Sa |
|---|---|
| InChI | InChI=1S/C12H11N3O4S/c1-2-19-11(16)10-9(14-12(13)20-10)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3,(H2,13,14) |
| InChIKey | XQZQJOZWHWHSDG-UHFFFAOYSA-N |
| Mol Weight | 293.3 g/mol |
| Molecular Formula | C12H11N3O4S |
| Exact Mass | 293.047027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdrBj3V1WEn |
|---|---|
| Name | Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.047027016 u |
| Formula | C12H11N3O4S |
| InChI | InChI=1S/C12H11N3O4S/c1-2-19-11(16)10-9(14-12(13)20-10)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3,(H2,13,14) |
| InChIKey | XQZQJOZWHWHSDG-UHFFFAOYSA-N |
| Molecular Weight | 293.297 g/mol |
| SMILES | NC=1SC(=C(N1)c1ccc(N(=O)=O)cc1)C(=O)OCC |