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(4E)-4-(4-Chlorobenzylidene)-2-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 2 MS (GC)

(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 6XCzEHn559y
Name 4-(4-CHLOROBENZYLIDENE)-1-(3-FLUOROPHENYL)-3-METHYL-2-PYRAZOLIN-5-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 314.0620
SMILES C1(=O)N(c2cccc(F)c2)N=C(C)\C1=C/c1ccc(Cl)cc1
SPLASH splash10-0w4i-7965000000-84fc314b1a4811b58521
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany