![3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole](/api/spectrum/KXQXe22qbTc/structure.png?h=300&w=458 "3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole")
| SpectraBase Compound ID | JiILwUh5Bij |
|---|---|
| InChI | InChI=1S/C14H9Cl2F3N6O2S/c1-23-10(5-24-6-20-11(15)12(24)16)21-22-13(23)28-9-3-2-7(14(17,18)19)4-8(9)25(26)27/h2-4,6H,5H2,1H3 |
| InChIKey | KKQRZXMKESTLGE-UHFFFAOYSA-N |
| Mol Weight | 453.23 g/mol |
| Molecular Formula | C14H9Cl2F3N6O2S |
| Exact Mass | 451.983685 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXQXe22qbTc |
|---|---|
| Name | 3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H9Cl2F3N6O2S |
| InChI | InChI=1S/C14H9Cl2F3N6O2S/c1-23-10(5-24-6-20-11(15)12(24)16)21-22-13(23)28-9-3-2-7(14(17,18)19)4-8(9)25(26)27/h2-4,6H,5H2,1H3 |
| InChIKey | KKQRZXMKESTLGE-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61059M |
| Solvent | DMSO-d6 |