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3-(4-Methylsulfanylphenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
SpectraBase Compound ID 6XgP0g73Fvl
InChI InChI=1S/C17H13F3N2S/c1-23-14-9-7-12(8-10-14)16-15(17(18,19)20)11-22(21-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey JHWAPMMDSASTKG-UHFFFAOYSA-N
Mol Weight 334.36 g/mol
Molecular Formula C17H13F3N2S
Exact Mass 334.075154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I33nWuD7C3V
Name 3-(4-Methylsulfanylphenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
Alternate Name(s) 3-[4-(methylthio)phenyl]-1-phenyl-4-(trifluoromethyl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F3N2S
InChI InChI=1S/C17H13F3N2S/c1-23-14-9-7-12(8-10-14)16-15(17(18,19)20)11-22(21-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey JHWAPMMDSASTKG-UHFFFAOYSA-N
Molecular Weight 334.360 g/mol
SMILES c1(c(n[n](c1)-c1ccccc1)-c1ccc(cc1)SC)C(F)(F)F
SPLASH splash10-001i-2109000000-e0e5970858e800dfcece
Source of Spectrum Y-30-369-6
Wiley ID 1330780