| SpectraBase Compound ID | OX1ytzglEr |
|---|---|
| InChI | InChI=1S/C11H10F3N3O4S/c12-11(13,14)7-5-8(16(18)19)10(9(6-7)17(20)21)15-1-3-22-4-2-15/h5-6H,1-4H2 |
| InChIKey | ILLSKTCFAYUNCX-UHFFFAOYSA-N |
| Mol Weight | 337.27 g/mol |
| Molecular Formula | C11H10F3N3O4S |
| Exact Mass | 337.034411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fm3KW6yBVx8 |
|---|---|
| Name | 4-(2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)thiomorpholine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.034411473 u |
| Formula | C11H10F3N3O4S |
| InChI | InChI=1S/C11H10F3N3O4S/c12-11(13,14)7-5-8(16(18)19)10(9(6-7)17(20)21)15-1-3-22-4-2-15/h5-6H,1-4H2 |
| InChIKey | ILLSKTCFAYUNCX-UHFFFAOYSA-N |
| Molecular Weight | 337.273 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=C(C1N1CCSCC1)N(=O)=O)C(F)(F)F |