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3-Cyano-5-amino-4-[4-methylphenylthio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID 8beKDJ1gS7W
InChI InChI=1S/C18H11Cl2F3N4S/c1-9-2-4-11(5-3-9)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 IZHSFUUFUYAKNW-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 D4hYr1hDO5c
Name 3-Cyano-5-amino-4-[4-methylphenylthio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11Cl2F3N4S
InChI InChI=1S/C18H11Cl2F3N4S/c1-9-2-4-11(5-3-9)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 IZHSFUUFUYAKNW-UHFFFAOYSA-N
Molecular Weight 443.275 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1ccc(cc1)C)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0006-0000900000-f9f7b5496350ac326f68
Source of Spectrum F4-41-925-4
Wiley ID 1672236