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4-(5-bromobenzofuran-2-yl)-2,7-diphenyl-pyrazolo[3,4-d]pyridazine
SpectraBase Compound ID 1myOiXQS9tP
InChI InChI=1S/C25H15BrN4O/c26-18-11-12-21-17(13-18)14-22(31-21)24-20-15-30(19-9-5-2-6-10-19)29-25(20)23(27-28-24)16-7-3-1-4-8-16/h1-15H
InChIKey KFAAIGVBDMBMBP-UHFFFAOYSA-N
Mol Weight 467.33 g/mol
Molecular Formula C25H15BrN4O
Exact Mass 466.042924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyQnXlZhnDT
Name 4-(5-bromobenzofuran-2-yl)-2,7-diphenyl-pyrazolo[3,4-d]pyridazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15BrN4O
InChI InChI=1S/C25H15BrN4O/c26-18-11-12-21-17(13-18)14-22(31-21)24-20-15-30(19-9-5-2-6-10-19)29-25(20)23(27-28-24)16-7-3-1-4-8-16/h1-15H
InChIKey KFAAIGVBDMBMBP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2507
Molecular Weight 467.326 g/mol
SMILES c12n[n](cc2c(nnc1-c1ccccc1)-c1cc2c(o1)ccc(c2)Br)-c1ccccc1
SPLASH splash10-00ou-9723500000-1ba55361d286c78b4ecf
Source of Spectrum Y-53-1924-9c
Wiley ID 1877742