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4-bromo-5-(p-nitrophenyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
SpectraBase Compound ID 4qNlUkL10vp
InChI InChI=1S/C21H15BrN4O3/c22-18-19(14-5-2-1-3-6-14)24-25(21(27)16-7-4-12-23-13-16)20(18)15-8-10-17(11-9-15)26(28)29/h1-13,18,20H
InChIKey KNKPCEXVYGXYDU-UHFFFAOYSA-N
Mol Weight 451.28 g/mol
Molecular Formula C21H15BrN4O3
Exact Mass 450.032753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uJtuEFKsGN
Name 4-bromo-5-(p-nitrophenyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15BrN4O3
InChI InChI=1S/C21H15BrN4O3/c22-18-19(14-5-2-1-3-6-14)24-25(21(27)16-7-4-12-23-13-16)20(18)15-8-10-17(11-9-15)26(28)29/h1-13,18,20H
InChIKey KNKPCEXVYGXYDU-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 451.280 g/mol
SMILES c1ccc(cc1)C1=NN(C(C1Br)c1ccc(cc1)[N+](=O)[O-])C(=O)c1cnccc1
SPLASH splash10-0ap0-2895200000-1dd98e3ab448b488a064
Source of Spectrum RCM-12-836-7
Wiley ID 1837681