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1,5-diphenyl-3,4-bis(trifluoromethylthio)pyrazole
SpectraBase Compound ID LsJNBmK9N3Y
InChI InChI=1S/C17H10F6N2S2/c18-16(19,20)26-14-13(11-7-3-1-4-8-11)25(12-9-5-2-6-10-12)24-15(14)27-17(21,22)23/h1-10H
InChIKey QYTXJCIMFMMABY-UHFFFAOYSA-N
Mol Weight 420.39 g/mol
Molecular Formula C17H10F6N2S2
Exact Mass 420.01896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeqH9xCHmp4
Name 1,5-diphenyl-3,4-bis(trifluoromethylthio)pyrazole
CAS Registry Number 114861-80-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H10F6N2S2
InChI InChI=1S/C17H10F6N2S2/c18-16(19,20)26-14-13(11-7-3-1-4-8-11)25(12-9-5-2-6-10-12)24-15(14)27-17(21,22)23/h1-10H
InChIKey QYTXJCIMFMMABY-UHFFFAOYSA-N
Molecular Weight 420.391 g/mol
SMILES c1(c(n[n](c1-c1ccccc1)-c1ccccc1)SC(F)(F)F)SC(F)(F)F
SPLASH splash10-0uk9-0080900000-296f7ad7067cd9555a6b
Source of Spectrum K-121-1839-7
Synonyms 1,5-diphenyl-3,4-bis[(trifluoromethyl)sulfanyl]-1H-pyrazole
Wiley ID 1377768