![3-{[1-(p-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]thio}-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole](/api/spectrum/CtCucBrWw2b/structure.png?h=300&w=458 "3-{[1-(p-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]thio}-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole")
| SpectraBase Compound ID | GIL6X2gaJR3 |
|---|---|
| InChI | InChI=1S/C16H13ClF3N5OS/c1-8-12(27-15-22-21-14(24(15)3)16(18,19)20)9(2)25(23-8)13(26)10-4-6-11(17)7-5-10/h4-7H,1-3H3 |
| InChIKey | NXYIRCVORAGIKY-UHFFFAOYSA-N |
| Mol Weight | 415.82 g/mol |
| Molecular Formula | C16H13ClF3N5OS |
| Exact Mass | 415.048143 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtCucBrWw2b |
|---|---|
| Name | 3-{[1-(p-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]thio}-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13ClF3N5OS |
| InChI | InChI=1S/C16H13ClF3N5OS/c1-8-12(27-15-22-21-14(24(15)3)16(18,19)20)9(2)25(23-8)13(26)10-4-6-11(17)7-5-10/h4-7H,1-3H3 |
| InChIKey | NXYIRCVORAGIKY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61284M |
| Solvent | CDCl3 |