| SpectraBase Compound ID | Fn4yrgPf6OO |
|---|---|
| InChI | InChI=1S/C13H12N2O3S/c1-8-4-3-5-9(2)12(8)14-13(16)10-6-11(15(17)18)19-7-10/h3-7H,1-2H3,(H,14,16) |
| InChIKey | JKFNOAMLKKPFQV-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 | GXEzGWmo7yf |
|---|---|
| Name | N-(2,6-Dimethylphenyl)-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/c1-8-4-3-5-9(2)12(8)14-13(16)10-6-11(15(17)18)19-7-10/h3-7H,1-2H3,(H,14,16) |
| InChIKey | JKFNOAMLKKPFQV-UHFFFAOYSA-N |
| SMILES | C=1(C(NC=2C(=CC=CC2C)C)=O)C=C(N(=O)=O)SC1 |