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3-(4'-Fluorophenyl)-1-(p-nitrophenyl)-4-(p'-chlorophenyl)-1H-pyrazole-5-carbonitrile
SpectraBase Compound ID 13IASd5KdjU
InChI InChI=1S/C22H12ClFN4O2/c23-16-5-1-14(2-6-16)21-20(13-25)27(18-9-11-19(12-10-18)28(29)30)26-22(21)15-3-7-17(24)8-4-15/h1-12H
InChIKey WQKYHEMNEQPEIL-UHFFFAOYSA-N
Mol Weight 418.82 g/mol
Molecular Formula C22H12ClFN4O2
Exact Mass 418.063282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN9jWYgSuHi
Name 3-(4'-Fluorophenyl)-1-(p-nitrophenyl)-4-(p'-chlorophenyl)-1H-pyrazole-5-carbonitrile
Alternate Name(s) 4-(4-Chlorophenyl)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3-pyrazolecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12ClFN4O2
InChI InChI=1S/C22H12ClFN4O2/c23-16-5-1-14(2-6-16)21-20(13-25)27(18-9-11-19(12-10-18)28(29)30)26-22(21)15-3-7-17(24)8-4-15/h1-12H
InChIKey WQKYHEMNEQPEIL-UHFFFAOYSA-N
Molecular Weight 418.815 g/mol
SMILES c1([n](nc(c1-c1ccc(cc1)Cl)-c1ccc(cc1)F)-c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-014i-2000900000-782b966b21a19b9bd87e
Source of Spectrum D9-20-977-8d
Wiley ID 1695490