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3-Cyano-5-amino-4-(phenylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID IBimjSciIGw
InChI InChI=1S/C17H9Cl2F3N4S/c18-11-6-9(17(20,21)22)7-12(19)14(11)26-16(24)15(13(8-23)25-26)27-10-4-2-1-3-5-10/h1-7H,24H2
InChIKey KAEUQAMEDMRLNP-UHFFFAOYSA-N
Mol Weight 429.25 g/mol
Molecular Formula C17H9Cl2F3N4S
Exact Mass 427.987707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BN6Kj82rKjl
Name 3-Cyano-5-amino-4-(phenylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H9Cl2F3N4S
InChI InChI=1S/C17H9Cl2F3N4S/c18-11-6-9(17(20,21)22)7-12(19)14(11)26-16(24)15(13(8-23)25-26)27-10-4-2-1-3-5-10/h1-7H,24H2
InChIKey KAEUQAMEDMRLNP-UHFFFAOYSA-N
Molecular Weight 429.248 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1ccccc1)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0059-0000900000-6e1983c033d89e114418
Source of Spectrum F4-41-925-3
Wiley ID 1672237