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3-(benzylthio)-5-(1-ethyl-3-methylpyrazol-5-yl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(benzylthio)-5-(1-ethyl-3-methylpyrazol-5-yl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole
SpectraBase Compound ID 2dj82m4MPNO
InChI InChI=1S/C22H20F3N5S/c1-3-29-19(12-15(2)28-29)20-26-27-21(31-14-16-8-5-4-6-9-16)30(20)18-11-7-10-17(13-18)22(23,24)25/h4-13H,3,14H2,1-2H3
InChIKey UYERGGGQNVKLPM-UHFFFAOYSA-N
Mol Weight 443.49 g/mol
Molecular Formula C22H20F3N5S
Exact Mass 443.139151 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID uGLMqbbkyp
Name 3-(BENZYLTHIO)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20F3N5S
InChI InChI=1S/C22H20F3N5S/c1-3-29-19(12-15(2)28-29)20-26-27-21(31-14-16-8-5-4-6-9-16)30(20)18-11-7-10-17(13-18)22(23,24)25/h4-13H,3,14H2,1-2H3
InChIKey UYERGGGQNVKLPM-UHFFFAOYSA-N
Melting Point 114-116C
Molecular Weight 443.50
Technique KBr WAFER