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(4Z)-4-(4-Bromobenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID BAQaTSbcl3O
InChI InChI=1S/C22H14BrN3O3/c23-17-8-6-15(7-9-17)14-20-21(16-4-2-1-3-5-16)24-25(22(20)27)18-10-12-19(13-11-18)26(28)29/h1-14H/b20-14-
InChIKey SMQNSIZHFWMJTC-ZHZULCJRSA-N
Mol Weight 448.28 g/mol
Molecular Formula C22H14BrN3O3
Exact Mass 447.021854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmzLK59EnwI
Name 4-(4-BROMOBENZYLIDENE)-1-(4-NITROPHENYL)-3-PHENYL-2-PYRAZOLIN-5-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H14BrN3O3
InChI InChI=1S/C22H14BrN3O3/c23-17-8-6-15(7-9-17)14-20-21(16-4-2-1-3-5-16)24-25(22(20)27)18-10-12-19(13-11-18)26(28)29/h1-14H/b20-14-
InChIKey SMQNSIZHFWMJTC-ZHZULCJRSA-N
Molecular Weight 447.0215
SMILES C1(=O)N(c2ccc(N(=O)=O)cc2)N=C(c2ccccc2)\C1=C/c1ccc(Br)cc1
SPLASH splash10-0006-9110100000-1fbabb59fe03c9fd82f6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany