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4-(5-bromobenzofuran-2-yl)-7-(2-thienyl)isoxazolo[3,4-d]pyridazine
SpectraBase Compound ID 4ZM6IXxNg9J
InChI InChI=1S/C17H8BrN3O2S/c18-10-3-4-12-9(6-10)7-13(23-12)15-11-8-22-21-16(11)17(20-19-15)14-2-1-5-24-14/h1-8H
InChIKey RXLADZSZRGNWIW-UHFFFAOYSA-N
Mol Weight 398.23 g/mol
Molecular Formula C17H8BrN3O2S
Exact Mass 396.952061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kI0VKbQngV
Name 4-(5-bromobenzofuran-2-yl)-7-(2-thienyl)isoxazolo[3,4-d]pyridazine
Appearance Brown solid
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Formula C17H8BrN3O2S
InChI InChI=1S/C17H8BrN3O2S/c18-10-3-4-12-9(6-10)7-13(23-12)15-11-8-22-21-16(11)17(20-19-15)14-2-1-5-24-14/h1-8H
InChIKey RXLADZSZRGNWIW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2507
Molecular Weight 398.234 g/mol
SMILES c12nocc2c(nnc1-c1sccc1)-c1cc2c(o1)ccc(c2)Br
SPLASH splash10-0002-2179100000-370579f522488ab8fb13
Source of Spectrum Y-53-1925-13b
Wiley ID 1877726