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5-(5-Bromo-benzofuran-2-carbonyl)-3-phenyl-3H-[1,3,4]thiadiazol-2-one
SpectraBase Compound ID 658HXFwaxiX
InChI InChI=1S/C17H9BrN2O3S/c18-11-6-7-13-10(8-11)9-14(23-13)15(21)16-19-20(17(22)24-16)12-4-2-1-3-5-12/h1-9H
InChIKey JEZKPSVZENNANG-UHFFFAOYSA-N
Mol Weight 401.23 g/mol
Molecular Formula C17H9BrN2O3S
Exact Mass 399.951726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La6io2RH9u3
Name 5-(5-Bromo-benzofuran-2-carbonyl)-3-phenyl-3H-[1,3,4]thiadiazol-2-one
Alternate Name(s) 5-(5-bromobenzofuran-2-carbonyl)-3-phenyl-1,3,4-thiadiazol-2(3H)-one 5-[(5-bromo-2-benzofuranyl)-oxomethyl]-3-phenyl-1,3,4-thiadiazol-2-one 5-(5-bromo-1-benzofuran-2-carbonyl)-3-phenyl-1,3,4-thiadiazol-2-one 5-[(5-bromanyl-1-benzofuran-2-yl)carbonyl]-3-phenyl-1,3,4-thiadiazol-2-one
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Formula C17H9BrN2O3S
InChI InChI=1S/C17H9BrN2O3S/c18-11-6-7-13-10(8-11)9-14(23-13)15(21)16-19-20(17(22)24-16)12-4-2-1-3-5-12/h1-9H
InChIKey JEZKPSVZENNANG-UHFFFAOYSA-N
Molecular Weight 401.234 g/mol
SMILES C1(=NN(c2ccccc2)C(S1)=O)C(c1oc2ccc(cc2c1)Br)=O
SPLASH splash10-00di-1491100000-960fc3931f9dc21c6074
Source of Spectrum Y-49-1104-19a
Wiley ID 1736298