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3-Cyano-5-amino-4-[3-(trifluoromethyl)phenyl thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID J8eDzgjBH4w
InChI InChI=1S/C18H8Cl2F6N4S/c19-11-5-9(18(24,25)26)6-12(20)14(11)30-16(28)15(13(7-27)29-30)31-10-3-1-2-8(4-10)17(21,22)23/h1-6H,28H2
InChIKey HRMLVBAZEJMSNS-UHFFFAOYSA-N
Mol Weight 497.25 g/mol
Molecular Formula C18H8Cl2F6N4S
Exact Mass 495.975092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcgaFxrlyGx
Name 3-Cyano-5-amino-4-[3-(trifluoromethyl)phenyl thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H8Cl2F6N4S
InChI InChI=1S/C18H8Cl2F6N4S/c19-11-5-9(18(24,25)26)6-12(20)14(11)30-16(28)15(13(7-27)29-30)31-10-3-1-2-8(4-10)17(21,22)23/h1-6H,28H2
InChIKey HRMLVBAZEJMSNS-UHFFFAOYSA-N
Molecular Weight 497.246 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1cc(C(F)(F)F)ccc1)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0002-0000910000-afcf5d7d3d9621b59823
Source of Spectrum F4-41-925-13
Wiley ID 1672228