| SpectraBase Compound ID | DYXlkcGhJET |
|---|---|
| InChI | InChI=1S/C13H12N2O3S/c1-2-9-5-3-4-6-11(9)14-13(16)10-7-12(15(17)18)19-8-10/h3-8H,2H2,1H3,(H,14,16) |
| InChIKey | QNHDNQYIEITLHU-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C13H12N2O3S |
| Exact Mass | 276.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EgC3luZSh4 |
|---|---|
| Name | N-(2-Ethylphenyl)-5-nitro-3-thiophenecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.056863425 u |
| Formula | C13H12N2O3S |
| InChI | InChI=1S/C13H12N2O3S/c1-2-9-5-3-4-6-11(9)14-13(16)10-7-12(15(17)18)19-8-10/h3-8H,2H2,1H3,(H,14,16) |
| InChIKey | QNHDNQYIEITLHU-UHFFFAOYSA-N |
| SMILES | C=1(C=C(N(=O)=O)SC1)C(NC=1C(CC)=CC=CC1)=O |