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[4-(5-bromobenzofuran-2-carbonyl)-1-phenyl-pyrazol-3-yl]-phenyl-methanone
SpectraBase Compound ID ELf6loqI2iK
InChI InChI=1S/C25H15BrN2O3/c26-18-11-12-21-17(13-18)14-22(31-21)25(30)20-15-28(19-9-5-2-6-10-19)27-23(20)24(29)16-7-3-1-4-8-16/h1-15H
InChIKey VNXOMHZSTSSCIF-UHFFFAOYSA-N
Mol Weight 471.31 g/mol
Molecular Formula C25H15BrN2O3
Exact Mass 470.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jSPXUKiwmk
Name [4-(5-bromobenzofuran-2-carbonyl)-1-phenyl-pyrazol-3-yl]-phenyl-methanone
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15BrN2O3
InChI InChI=1S/C25H15BrN2O3/c26-18-11-12-21-17(13-18)14-22(31-21)25(30)20-15-28(19-9-5-2-6-10-19)27-23(20)24(29)16-7-3-1-4-8-16/h1-15H
InChIKey VNXOMHZSTSSCIF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2507
Molecular Weight 471.310 g/mol
SMILES c1(n[n](cc1C(=O)c1cc2c(o1)ccc(c2)Br)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-056r-9600100000-042809e4057f9a76ac60
Source of Spectrum Y-53-1924-7d
Wiley ID 1877740