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1-(2-thenoyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester

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

1-(2-thenoyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID JFImU3QiMIY
InChI InChI=1S/C12H9F3N2O3S/c1-2-20-11(19)7-6-17(16-9(7)12(13,14)15)10(18)8-4-3-5-21-8/h3-6H,2H2,1H3
InChIKey IEQJWTWEMNERQE-UHFFFAOYSA-N
Mol Weight 318.27 g/mol
Molecular Formula C12H9F3N2O3S
Exact Mass 318.028598 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3TFYYV1modH
Name 1-(2-THENOYL)-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 C12H9F3N2O3S
InChI InChI=1S/C12H9F3N2O3S/c1-2-20-11(19)7-6-17(16-9(7)12(13,14)15)10(18)8-4-3-5-21-8/h3-6H,2H2,1H3
InChIKey IEQJWTWEMNERQE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 121-123C
Molecular Weight 318.28
Solvent Polysol; Reference=TMS; Temperature 297K