John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8YMiJ7JSrTa SpectraBase Spectrum ID=29LwnkvfPQZ

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2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 8YMiJ7JSrTa
InChI InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29)
InChIKey MVIVTGCXBIWVRO-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C22H22N6OS
Exact Mass 418.157581 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29LwnkvfPQZ
Name 2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
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Formula C22H22N6OS
InChI InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29)
InChIKey MVIVTGCXBIWVRO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59236M
Solvent CDCl3
SpectraBase Batch ID IrNLABBzCGI