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1-[(2,4-difluorophenyl)sulfonyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester

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

1-[(2,4-difluorophenyl)sulfonyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID BFESY6OgfkE
InChI InChI=1S/C13H9F5N2O4S/c1-2-24-12(21)8-6-20(19-11(8)13(16,17)18)25(22,23)10-4-3-7(14)5-9(10)15/h3-6H,2H2,1H3
InChIKey WGTFBHRYLMQLKW-UHFFFAOYSA-N
Mol Weight 384.28 g/mol
Molecular Formula C13H9F5N2O4S
Exact Mass 384.020319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1DyPevGn2V8
Name 1-[(2,4-DIFLUOROPHENYL)SULFONYL]-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F5N2O4S
InChI InChI=1S/C13H9F5N2O4S/c1-2-24-12(21)8-6-20(19-11(8)13(16,17)18)25(22,23)10-4-3-7(14)5-9(10)15/h3-6H,2H2,1H3
InChIKey WGTFBHRYLMQLKW-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 120-122C
Molecular Weight 384.28
Solvent CDCl3; Reference=TMS; Temperature 297K