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4-(4-chlorophenyl)-1-(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1H-pyrrol-2(5H)-one
SpectraBase Compound ID LOGPjajW02q
InChI InChI=1S/C18H12ClFN4O/c19-13-3-1-12(2-4-13)16-9-23(15-7-5-14(20)6-8-15)18(25)17(16)24-11-21-10-22-24/h1-8,10-11H,9H2
InChIKey QVMMXYVTHIFYFJ-UHFFFAOYSA-N
Mol Weight 354.77 g/mol
Molecular Formula C18H12ClFN4O
Exact Mass 354.068367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6m5WS6a1RXE
Name 4-(4-chlorophenyl)-1-(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1H-pyrrol-2(5H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClFN4O
InChI InChI=1S/C18H12ClFN4O/c19-13-3-1-12(2-4-13)16-9-23(15-7-5-14(20)6-8-15)18(25)17(16)24-11-21-10-22-24/h1-8,10-11H,9H2
InChIKey QVMMXYVTHIFYFJ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 354.772 g/mol
SMILES C1(N(CC(=C1[n]1ncnc1)c1ccc(cc1)Cl)c1ccc(cc1)F)=O
SPLASH splash10-0udi-2439000000-65f8136b375102b63dd2
Source of Spectrum CN106243087A
Wiley ID 1852911