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[4-(5-bromobenzofuran-2-carbonyl)isoxazol-3-yl]-(2-thienyl)methanone
SpectraBase Compound ID 8pVplvjL5sY
InChI InChI=1S/C17H8BrNO4S/c18-10-3-4-12-9(6-10)7-13(23-12)16(20)11-8-22-19-15(11)17(21)14-2-1-5-24-14/h1-8H
InChIKey BNDYUNVLHSJBKA-UHFFFAOYSA-N
Mol Weight 402.22 g/mol
Molecular Formula C17H8BrNO4S
Exact Mass 400.935742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJdh40P4p8P
Name [4-(5-bromobenzofuran-2-carbonyl)isoxazol-3-yl]-(2-thienyl)methanone
Appearance Brown solid
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Formula C17H8BrNO4S
InChI InChI=1S/C17H8BrNO4S/c18-10-3-4-12-9(6-10)7-13(23-12)16(20)11-8-22-19-15(11)17(21)14-2-1-5-24-14/h1-8H
InChIKey BNDYUNVLHSJBKA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2507
Molecular Weight 402.218 g/mol
SMILES c1(nocc1C(=O)c1cc2c(o1)ccc(c2)Br)C(c1sccc1)=O
SPLASH splash10-03di-0900000000-94760941d141d9f8e055
Source of Spectrum Y-53-1925-12b
Wiley ID 1877722