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4-bromo-5-(p-anisyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
SpectraBase Compound ID Fd1YFtDRlJW
InChI InChI=1S/C22H18BrN3O2/c1-28-18-11-9-16(10-12-18)21-19(23)20(15-6-3-2-4-7-15)25-26(21)22(27)17-8-5-13-24-14-17/h2-14,19,21H,1H3
InChIKey BQFMEMOQZBFLFF-UHFFFAOYSA-N
Mol Weight 436.31 g/mol
Molecular Formula C22H18BrN3O2
Exact Mass 435.05824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1U6VEUqE1b
Name 4-bromo-5-(p-anisyl)-3-phenyl-1-nicotinoyl-2-pyrazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrN3O2
InChI InChI=1S/C22H18BrN3O2/c1-28-18-11-9-16(10-12-18)21-19(23)20(15-6-3-2-4-7-15)25-26(21)22(27)17-8-5-13-24-14-17/h2-14,19,21H,1H3
InChIKey BQFMEMOQZBFLFF-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 436.309 g/mol
SMILES c1ccc(cc1)C1=NN(C(C1Br)c1ccc(cc1)OC)C(=O)c1cnccc1
SPLASH splash10-00g0-4941200000-9507a1d8a508fe72adbf
Source of Spectrum RCM-12-834-4
Wiley ID 1837678