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5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(tetrahydrofuran-2-ylthio)-1H-pyrazole-3-carbonitrile
SpectraBase Compound ID Ea3HsvwBr0i
InChI InChI=1S/C15H11Cl2F3N4OS/c16-8-4-7(15(18,19)20)5-9(17)12(8)24-14(22)13(10(6-21)23-24)26-11-2-1-3-25-11/h4-5,11H,1-3,22H2
InChIKey YLZQXMYEYXUCDS-UHFFFAOYSA-N
Mol Weight 423.24 g/mol
Molecular Formula C15H11Cl2F3N4OS
Exact Mass 421.998272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAPOOyDlYq9
Name 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(tetrahydrofuran-2-ylthio)-1H-pyrazole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl2F3N4OS
InChI InChI=1S/C15H11Cl2F3N4OS/c16-8-4-7(15(18,19)20)5-9(17)12(8)24-14(22)13(10(6-21)23-24)26-11-2-1-3-25-11/h4-5,11H,1-3,22H2
InChIKey YLZQXMYEYXUCDS-UHFFFAOYSA-N
Literature Reference DOI 10.1080/00397911.2014.888081
Molecular Weight 423.241 g/mol
SMILES Nc1c(c(n[n]1-c1c(cc(cc1Cl)C(F)(F)F)Cl)C#N)SC1OCCC1
SPLASH splash10-00di-9000000000-cd956271ff301a1f97bd
Source of Spectrum B1-44-2045/SMS3-3fa
Synonyms 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((tetrahydrofuran-2-yl)thio)-1H-pyrazole-3-carbonitrile
Wiley ID 1749756