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1-(p-tolylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester

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

1-(p-tolylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID BhQZlVA4YmQ
InChI InChI=1S/C14H13F3N2O4S/c1-3-23-13(20)11-8-19(18-12(11)14(15,16)17)24(21,22)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKey NDRFKGHCMUVQDU-UHFFFAOYSA-N
Mol Weight 362.32 g/mol
Molecular Formula C14H13F3N2O4S
Exact Mass 362.054813 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QDhXbJWcCE
Name 1-(p-TOLYLSULFONYL)-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 C14H13F3N2O4S
InChI InChI=1S/C14H13F3N2O4S/c1-3-23-13(20)11-8-19(18-12(11)14(15,16)17)24(21,22)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKey NDRFKGHCMUVQDU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 93-95C
Molecular Weight 362.33
Solvent CDCl3; Reference=TMS; Temperature 297K