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4-bromo-5-phenyl-3-(p-tolyl)-1-nicotinoyl-2-pyrazoline
SpectraBase Compound ID 8K2yHWXF1VD
InChI InChI=1S/C22H18BrN3O/c1-15-9-11-16(12-10-15)20-19(23)21(17-6-3-2-4-7-17)26(25-20)22(27)18-8-5-13-24-14-18/h2-14,19,21H,1H3
InChIKey SZBCVAQYPLJEAD-UHFFFAOYSA-N
Mol Weight 420.31 g/mol
Molecular Formula C22H18BrN3O
Exact Mass 419.063325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImVbAjZn1cR
Name 4-bromo-5-phenyl-3-(p-tolyl)-1-nicotinoyl-2-pyrazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrN3O
InChI InChI=1S/C22H18BrN3O/c1-15-9-11-16(12-10-15)20-19(23)21(17-6-3-2-4-7-17)26(25-20)22(27)18-8-5-13-24-14-18/h2-14,19,21H,1H3
InChIKey SZBCVAQYPLJEAD-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 420.310 g/mol
SMILES c1(ccc(cc1)C1=NN(C(C1Br)c1ccccc1)C(=O)c1cnccc1)C
SPLASH splash10-05fr-4970300000-21a8fd991bd7e44aebb5
Source of Spectrum RCM-12-834-6
Wiley ID 1837680