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3-(Benzylideneamino)-4-(4-(5-bromobenzofuran-2-yl)thiazol-2-yl)-N-phenyl-1H-pyrazol-5-amine
SpectraBase Compound ID TqVFlO9WVk
InChI InChI=1S/C27H18BrN5OS/c28-19-11-12-22-18(13-19)14-23(34-22)21-16-35-27(31-21)24-25(29-15-17-7-3-1-4-8-17)32-33-26(24)30-20-9-5-2-6-10-20/h1-16H,(H2,30,32,33)
InChIKey HZKGCYFJUJXXEK-UHFFFAOYSA-N
Mol Weight 540.44 g/mol
Molecular Formula C27H18BrN5OS
Exact Mass 539.041544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 242yBzBYEGf
Name 3-(Benzylideneamino)-4-(4-(5-bromobenzofuran-2-yl)thiazol-2-yl)-N-phenyl-1H-pyrazol-5-amine
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18BrN5OS
InChI InChI=1S/C27H18BrN5OS/c28-19-11-12-22-18(13-19)14-23(34-22)21-16-35-27(31-21)24-25(29-15-17-7-3-1-4-8-17)32-33-26(24)30-20-9-5-2-6-10-20/h1-16H,(H2,30,32,33)
InChIKey HZKGCYFJUJXXEK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2383
Molecular Weight 540.439 g/mol
SMILES [nH]1c(c(c(N=Cc2ccccc2)n1)-c1scc(n1)-c1oc2c(c1)cc(cc2)Br)Nc1ccccc1
SPLASH splash10-004i-9000000000-492f3b30daba62ce8e95
Source of Spectrum Y-53-1301-34
Wiley ID 1877717