![4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole](/api/spectrum/TT5MgFcOj6/structure.png?h=300&w=458 "4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole")
| SpectraBase Compound ID | Ia1j3lZacpw |
|---|---|
| InChI | InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3 |
| InChIKey | BYYUASHXMXINDH-UHFFFAOYSA-N |
| Mol Weight | 341.28 g/mol |
| Molecular Formula | C12H9F6N3S |
| Exact Mass | 341.042137 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TT5MgFcOj6 |
|---|---|
| Name | 4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9F6N3S |
| InChI | InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3 |
| InChIKey | BYYUASHXMXINDH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55756M |
| Solvent | CDCl3 |