![4-tert-butyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole](/api/spectrum/ACfdT7m3xf8/structure.png?h=300&w=458 "4-tert-butyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole")
| SpectraBase Compound ID | 1bDfodkJjyx |
|---|---|
| InChI | InChI=1S/C13H13F3N4O2S/c1-12(2,3)19-7-17-18-11(19)23-10-5-4-8(13(14,15)16)6-9(10)20(21)22/h4-7H,1-3H3 |
| InChIKey | ZHWYOISJUPVKGF-UHFFFAOYSA-N |
| Mol Weight | 346.33 g/mol |
| Molecular Formula | C13H13F3N4O2S |
| Exact Mass | 346.071131 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACfdT7m3xf8 |
|---|---|
| Name | 4-tert-butyl-3-[(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 | C13H13F3N4O2S |
| InChI | InChI=1S/C13H13F3N4O2S/c1-12(2,3)19-7-17-18-11(19)23-10-5-4-8(13(14,15)16)6-9(10)20(21)22/h4-7H,1-3H3 |
| InChIKey | ZHWYOISJUPVKGF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46423M |
| Solvent | CDCl3 |