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5-[(p-CHLOROBENZYL)THIO]-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE
SpectraBase Compound ID 7HGTLR2YZvF
InChI InChI=1S/C13H10ClF3N2OS/c1-19-12(10(6-20)11(18-19)13(15,16)17)21-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKey VQFJCAGUPWZIKZ-UHFFFAOYSA-N
Mol Weight 334.74 g/mol
Molecular Formula C13H10ClF3N2OS
Exact Mass 334.015446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LfvHKziH7lE
Name 5-[(p-CHLOROBENZYL)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 C13H10ClF3N2OS
InChI InChI=1S/C13H10ClF3N2OS/c1-19-12(10(6-20)11(18-19)13(15,16)17)21-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKey VQFJCAGUPWZIKZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 108-109C
Molecular Weight 334.75
Solvent CDCl3; Reference=TMS; Temperature 297K