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3-{[1-(p-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]thio}-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR, and 1 FTIR

3-{[1-(p-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]thio}-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole
SpectraBase Compound ID GIL6X2gaJR3
InChI InChI=1S/C16H13ClF3N5OS/c1-8-12(27-15-22-21-14(24(15)3)16(18,19)20)9(2)25(23-8)13(26)10-4-6-11(17)7-5-10/h4-7H,1-3H3
InChIKey NXYIRCVORAGIKY-UHFFFAOYSA-N
Mol Weight 415.82 g/mol
Molecular Formula C16H13ClF3N5OS
Exact Mass 415.048143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lUBwLZhp8d
Name 3-{[1-(p-CHLOROBENZOYL)-3,5-DIMETHYLPYRAZOL-4-YL]THIO}-4-METHYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClF3N5OS
InChI InChI=1S/C16H13ClF3N5OS/c1-8-12(27-15-22-21-14(24(15)3)16(18,19)20)9(2)25(23-8)13(26)10-4-6-11(17)7-5-10/h4-7H,1-3H3
InChIKey NXYIRCVORAGIKY-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 415.83
Solvent CDCl3; Reference=TMS; Temperature 297K