| SpectraBase Compound ID | 5SZRx5rpzjr |
|---|---|
| InChI | InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-2-1-3-11(8-9)19-13(23)18-10-4-6-12(7-5-10)20(21)22/h1-8H,(H2,18,19,23) |
| InChIKey | OELRBZSULAMPKZ-UHFFFAOYSA-N |
| Mol Weight | 341.31 g/mol |
| Molecular Formula | C14H10F3N3O2S |
| Exact Mass | 341.044582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DkdgvA8Dmo |
|---|---|
| Name | 4-Nitrothio-3'-(trifluoromethyl)carbanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.044582235 u |
| Formula | C14H10F3N3O2S |
| InChI | InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-2-1-3-11(8-9)19-13(23)18-10-4-6-12(7-5-10)20(21)22/h1-8H,(H2,18,19,23) |
| InChIKey | OELRBZSULAMPKZ-UHFFFAOYSA-N |
| Molecular Weight | 341.308 g/mol |
| SMILES | N(C1=CC=CC(=C1)C(F)(F)F)C(NC1=CC=C(C=C1)N(=O)=O)=S |