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3-Cyano-5-amino-4-[(2-chlorophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID 9Z2UACyef5g
InChI InChI=1S/C17H8Cl3F3N4S/c18-9-3-1-2-4-13(9)28-15-12(7-24)26-27(16(15)25)14-10(19)5-8(6-11(14)20)17(21,22)23/h1-6H,25H2
InChIKey JBTKKWLUFQJLNS-UHFFFAOYSA-N
Mol Weight 463.69 g/mol
Molecular Formula C17H8Cl3F3N4S
Exact Mass 461.948735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qRk1QWdC19
Name 3-Cyano-5-amino-4-[(2-chlorophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H8Cl3F3N4S
InChI InChI=1S/C17H8Cl3F3N4S/c18-9-3-1-2-4-13(9)28-15-12(7-24)26-27(16(15)25)14-10(19)5-8(6-11(14)20)17(21,22)23/h1-6H,25H2
InChIKey JBTKKWLUFQJLNS-UHFFFAOYSA-N
Molecular Weight 463.693 g/mol
SMILES Nc1c(Sc2c(Cl)cccc2)c(n[n]1-c1c(cc(C(F)(F)F)cc1Cl)Cl)C#N
SPLASH splash10-03di-0000900000-27923e6e74f99b72a4ce
Source of Spectrum F4-41-925-11
Wiley ID 1672229