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3-Cyano-5-amino-4-[3-methylphenylthio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID LfwuuE8u2C7
InChI InChI=1S/C18H11Cl2F3N4S/c1-9-3-2-4-11(5-9)28-16-14(8-24)26-27(17(16)25)15-12(19)6-10(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey WPBAPVQFUSRPAC-UHFFFAOYSA-N
Mol Weight 443.28 g/mol
Molecular Formula C18H11Cl2F3N4S
Exact Mass 442.003357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wv5Fl67pu2
Name 3-Cyano-5-amino-4-[3-methylphenylthio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H11Cl2F3N4S
InChI InChI=1S/C18H11Cl2F3N4S/c1-9-3-2-4-11(5-9)28-16-14(8-24)26-27(17(16)25)15-12(19)6-10(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey WPBAPVQFUSRPAC-UHFFFAOYSA-N
Molecular Weight 443.275 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1cc(C)ccc1)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0006-0000900000-3afdbb438e94797fd357
Source of Spectrum F4-41-925-5
Wiley ID 1672235