![4-methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole](/api/spectrum/8o8Q4Mctf8P/structure.png?h=300&w=458 "4-methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole")
| SpectraBase Compound ID | 5qnPJfZtijH |
|---|---|
| InChI | InChI=1S/C18H11F3N6O2S2/c1-26-15(12-9-30-16(23-12)10-3-2-6-22-8-10)24-25-17(26)31-14-5-4-11(18(19,20)21)7-13(14)27(28)29/h2-9H,1H3 |
| InChIKey | PTGAXMMQDOIODA-UHFFFAOYSA-N |
| Mol Weight | 464.44 g/mol |
| Molecular Formula | C18H11F3N6O2S2 |
| Exact Mass | 464.0337 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8o8Q4Mctf8P |
|---|---|
| Name | 4-methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11F3N6O2S2 |
| InChI | InChI=1S/C18H11F3N6O2S2/c1-26-15(12-9-30-16(23-12)10-3-2-6-22-8-10)24-25-17(26)31-14-5-4-11(18(19,20)21)7-13(14)27(28)29/h2-9H,1H3 |
| InChIKey | PTGAXMMQDOIODA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58271M |
| Solvent | CDCl3 |