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3-Cyano-5-amino-4-[(2-methoxyphenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID v3nigqwJSv
InChI InChI=1S/C18H11Cl2F3N4OS/c1-28-13-4-2-3-5-14(13)29-16-12(8-24)26-27(17(16)25)15-10(19)6-9(7-11(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey UGTWECRRIFJWDP-UHFFFAOYSA-N
Mol Weight 459.27 g/mol
Molecular Formula C18H11Cl2F3N4OS
Exact Mass 457.998272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlJFp6AhlpD
Name 3-Cyano-5-amino-4-[(2-methoxyphenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11Cl2F3N4OS
InChI InChI=1S/C18H11Cl2F3N4OS/c1-28-13-4-2-3-5-14(13)29-16-12(8-24)26-27(17(16)25)15-10(19)6-9(7-11(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey UGTWECRRIFJWDP-UHFFFAOYSA-N
Molecular Weight 459.274 g/mol
SMILES Nc1c(Sc2c(OC)cccc2)c(n[n]1-c1c(cc(C(F)(F)F)cc1Cl)Cl)C#N
SPLASH splash10-0a4r-0910800000-5241a80d5e6b911deb61
Source of Spectrum F4-41-925-8
Wiley ID 1672232