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3-[(p-chlorobenzyl)thio]-5-(1,5-dimethylpyrazol-3-yl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole

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3-[(p-chlorobenzyl)thio]-5-(1,5-dimethylpyrazol-3-yl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole
SpectraBase Compound ID IlRJX61LQNL
InChI InChI=1S/C21H17ClF3N5S/c1-13-10-18(28-29(13)2)19-26-27-20(31-12-14-6-8-16(22)9-7-14)30(19)17-5-3-4-15(11-17)21(23,24)25/h3-11H,12H2,1-2H3
InChIKey ZIOVBCAVZLCJQF-UHFFFAOYSA-N
Mol Weight 463.91 g/mol
Molecular Formula C21H17ClF3N5S
Exact Mass 463.084529 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhUEFA1Z34X
Name 3-[(p-chlorobenzyl)thio]-5-(1,5-dimethylpyrazol-3-yl)-4-alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClF3N5S
InChI InChI=1S/C21H17ClF3N5S/c1-13-10-18(28-29(13)2)19-26-27-20(31-12-14-6-8-16(22)9-7-14)30(19)17-5-3-4-15(11-17)21(23,24)25/h3-11H,12H2,1-2H3
InChIKey ZIOVBCAVZLCJQF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46193M
Solvent CDCl3