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4-(5-bromobenzofuran-2-yl)-7-(2-naphthyl)isoxazolo[3,4-d]pyridazine
SpectraBase Compound ID ln79bkSRBr
InChI InChI=1S/C23H12BrN3O2/c24-17-7-8-19-16(10-17)11-20(29-19)22-18-12-28-27-23(18)21(25-26-22)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H
InChIKey AEIBUKOQVBHEGI-UHFFFAOYSA-N
Mol Weight 442.27 g/mol
Molecular Formula C23H12BrN3O2
Exact Mass 441.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgXcEKeALBf
Name 4-(5-bromobenzofuran-2-yl)-7-(2-naphthyl)isoxazolo[3,4-d]pyridazine
Appearance Brown solid
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Formula C23H12BrN3O2
InChI InChI=1S/C23H12BrN3O2/c24-17-7-8-19-16(10-17)11-20(29-19)22-18-12-28-27-23(18)21(25-26-22)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H
InChIKey AEIBUKOQVBHEGI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2507
Molecular Weight 442.272 g/mol
SMILES c12nocc2c(nnc1-c1ccc2c(c1)cccc2)-c1cc2c(o1)ccc(c2)Br
SPLASH splash10-0a6r-1900000000-4ac755751494aecb9a9d
Source of Spectrum Y-53-1925-13d
Wiley ID 1877728