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(4E)-4-(4-Chlorobenzylidene)-2-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HU4UumMrV1m
InChI InChI=1S/C17H12ClFN2O/c1-11-16(9-12-5-7-13(18)8-6-12)17(22)21(20-11)15-4-2-3-14(19)10-15/h2-10H,1H3/b16-9-
InChIKey MAXNSKORZULAEX-SXGWCWSVSA-N
Mol Weight 314.75 g/mol
Molecular Formula C17H12ClFN2O
Exact Mass 314.062219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJlccn0NNIq
Name (4E)-4-(4-Chlorobenzylidene)-2-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 330577-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClFN2O
InChI InChI=1S/C17H12ClFN2O/c1-11-16(9-12-5-7-13(18)8-6-12)17(22)21(20-11)15-4-2-3-14(19)10-15/h2-10H,1H3/b16-9-
InChIKey MAXNSKORZULAEX-SXGWCWSVSA-N
Molecular Weight 314.747 g/mol
SMILES C1(\C(C(=NN1c1cc(ccc1)F)C)=C/c1ccc(cc1)Cl)=O
SPLASH splash10-0w4i-7965000000-4118e88cb7fdcea0330a
Synonyms 4-(4-Chlorobenzylidene)-1-(3-fluorophenyl)-3-methyl-2-pyrazolin-5-one
Wiley ID 1467880