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4-{{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester

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

4-{{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester
SpectraBase Compound ID BgkMMPhbxDn
InChI InChI=1S/C17H15F3N4O2S2/c1-3-26-14(25)12-11(21-13(28-12)10-7-5-4-6-8-10)9-27-16-23-22-15(24(16)2)17(18,19)20/h4-8H,3,9H2,1-2H3
InChIKey YFDUFBJWLQHITN-UHFFFAOYSA-N
Mol Weight 428.45 g/mol
Molecular Formula C17H15F3N4O2S2
Exact Mass 428.058853 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 30QnuB83nnh
Name 4-{{[4-METHYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}METHYL}-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F3N4O2S2
InChI InChI=1S/C17H15F3N4O2S2/c1-3-26-14(25)12-11(21-13(28-12)10-7-5-4-6-8-10)9-27-16-23-22-15(24(16)2)17(18,19)20/h4-8H,3,9H2,1-2H3
InChIKey YFDUFBJWLQHITN-UHFFFAOYSA-N
Melting Point 101-103C
Molecular Weight 428.46
Technique KBr WAFER