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5-[(p-CHLOROPHENYL)THIO]-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE

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

5-[(p-CHLOROPHENYL)THIO]-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE
SpectraBase Compound ID pAXYh65meu
InChI InChI=1S/C12H8ClF3N2OS/c1-18-11(20-8-4-2-7(13)3-5-8)9(6-19)10(17-18)12(14,15)16/h2-6H,1H3
InChIKey AHCCPDLFTYDMKN-UHFFFAOYSA-N
Mol Weight 320.72 g/mol
Molecular Formula C12H8ClF3N2OS
Exact Mass 319.999796 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpIw1bxPAJA
Name 5-[(p-CHLOROPHENYL)THIO]-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClF3N2OS
InChI InChI=1S/C12H8ClF3N2OS/c1-18-11(20-8-4-2-7(13)3-5-8)9(6-19)10(17-18)12(14,15)16/h2-6H,1H3
InChIKey AHCCPDLFTYDMKN-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 93-95C
Molecular Weight 320.72
Solvent CDCl3; Reference=TMS; Temperature 297K