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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

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
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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