| SpectraBase Compound ID | B39mWIS46Ko |
|---|---|
| InChI | InChI=1S/C10H8Cl3N3O4S/c11-5-6(12)8(14-1-3-21-4-2-14)10(16(19)20)9(7(5)13)15(17)18/h1-4H2 |
| InChIKey | RYHMFJIQLONVGT-UHFFFAOYSA-N |
| Mol Weight | 372.61 g/mol |
| Molecular Formula | C10H8Cl3N3O4S |
| Exact Mass | 370.93011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2t0nvgowcFW |
|---|---|
| Name | 4-(2,3-Dinitro-4,5,6-trichlorophenyl)thiomorpholine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.930110020 u |
| Formula | C10H8Cl3N3O4S |
| InChI | InChI=1S/C10H8Cl3N3O4S/c11-5-6(12)8(14-1-3-21-4-2-14)10(16(19)20)9(7(5)13)15(17)18/h1-4H2 |
| InChIKey | RYHMFJIQLONVGT-UHFFFAOYSA-N |
| Molecular Weight | 372.610 g/mol |
| SMILES | N(=O)(=O)C=1C(=C(C(=C(C1N1CCSCC1)Cl)Cl)Cl)N(=O)=O |