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5-METHYL-1-(2-THENOYL)-3-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)PYRAZOLE-4-CARBOXYLIC ACID, METHYL ESTER

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

5-METHYL-1-(2-THENOYL)-3-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)PYRAZOLE-4-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 9lkJrR9b4vZ
InChI InChI=1S/C18H13F3N2O3S/c1-10-14(17(25)26-2)15(11-5-7-12(8-6-11)18(19,20)21)22-23(10)16(24)13-4-3-9-27-13/h3-9H,1-2H3
InChIKey TVQPYJBXFZLSIX-UHFFFAOYSA-N
Mol Weight 394.37 g/mol
Molecular Formula C18H13F3N2O3S
Exact Mass 394.059898 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BdzQxBql0b
Name 5-METHYL-1-(2-THENOYL)-3-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)PYRAZOLE-4-CARBOXYLIC ACID, METHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3N2O3S
InChI InChI=1S/C18H13F3N2O3S/c1-10-14(17(25)26-2)15(11-5-7-12(8-6-11)18(19,20)21)22-23(10)16(24)13-4-3-9-27-13/h3-9H,1-2H3
InChIKey TVQPYJBXFZLSIX-UHFFFAOYSA-N
Melting Point 125-127C
Molecular Weight 394.38
Technique KBr WAFER