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1,3-diphenyl-5-[(trifluoromethylthio)methyl]pyrazole
SpectraBase Compound ID B5K17eAvgyT
InChI InChI=1S/C17H13F3N2S/c18-17(19,20)23-12-15-11-16(13-7-3-1-4-8-13)21-22(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey UWEWGIBATYYXQA-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 2eHGYcQsLMJ
Name 1,3-diphenyl-5-[(trifluoromethylthio)methyl]pyrazole
Alternate Name(s) 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole
CAS Registry Number 114861-75-5
Comments Less than 3 mono-isotopic peaks
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Formula C17H13F3N2S
InChI InChI=1S/C17H13F3N2S/c18-17(19,20)23-12-15-11-16(13-7-3-1-4-8-13)21-22(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey UWEWGIBATYYXQA-UHFFFAOYSA-N
Molecular Weight 334.360 g/mol
SMILES c1([n](nc(c1)-c1ccccc1)-c1ccccc1)CSC(F)(F)F
SPLASH splash10-001i-0096000000-088452c229da240be563
Source of Spectrum K-121-1838-6
Wiley ID 1330778