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4-bromo-5-(p-chlorophenyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
SpectraBase Compound ID JaUDFA8xG4N
InChI InChI=1S/C21H15BrClN3O/c22-18-19(14-5-2-1-3-6-14)25-26(21(27)16-7-4-12-24-13-16)20(18)15-8-10-17(23)11-9-15/h1-13,18,20H
InChIKey DJERWLGPFXPWRV-UHFFFAOYSA-N
Mol Weight 440.73 g/mol
Molecular Formula C21H15BrClN3O
Exact Mass 439.008703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O4vN8QqhjD
Name 4-bromo-5-(p-chlorophenyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15BrClN3O
InChI InChI=1S/C21H15BrClN3O/c22-18-19(14-5-2-1-3-6-14)25-26(21(27)16-7-4-12-24-13-16)20(18)15-8-10-17(23)11-9-15/h1-13,18,20H
InChIKey DJERWLGPFXPWRV-UHFFFAOYSA-N
Instrument Name Jeol JMS-D100 or Finnigan MAT TSQ700
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980715)12_13_833
Molecular Weight 440.728 g/mol
SMILES c1ccc(cc1)C1=NN(C(C1Br)c1ccc(cc1)Cl)C(=O)c1cnccc1
SPLASH splash10-00rl-1986800000-dcf51c3f60b5a09f3434
Source of Spectrum RCM-12-834-8
Wiley ID 1837682