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3-Benzofurancarboxylic acid, 5-(acetyloxy)-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-, ethyl ester
SpectraBase Compound ID 82FqEdXe1fD
InChI InChI=1S/C20H22BrN3O5/c1-3-27-20(26)19-14-10-17(28-13(2)25)15(21)11-16(14)29-18(19)12-24-8-6-23(5-4-22)7-9-24/h10-11H,3,5-9,12H2,1-2H3
InChIKey JZUAKGJNSOIVRG-UHFFFAOYSA-N
Mol Weight 464.32 g/mol
Molecular Formula C20H22BrN3O5
Exact Mass 463.074284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80FLbfMdFys
Name 3-Benzofurancarboxylic acid, 5-(acetyloxy)-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-, ethyl ester
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Formula C20H22BrN3O5
InChI InChI=1S/C20H22BrN3O5/c1-3-27-20(26)19-14-10-17(28-13(2)25)15(21)11-16(14)29-18(19)12-24-8-6-23(5-4-22)7-9-24/h10-11H,3,5-9,12H2,1-2H3
InChIKey JZUAKGJNSOIVRG-UHFFFAOYSA-N
Molecular Weight 464.316 g/mol
SMILES c12cc(c(cc2c(c(o1)CN1CCN(CC1)CC#N)C(OCC)=O)OC(C)=O)Br
SPLASH splash10-0006-9420100000-0e2369f764dd34490570
Source of Spectrum IY-1-4600-6
Synonyms 5-Acetyloxy-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-3-benzofurancarboxylic acid ethyl ester Ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate Ethyl 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]benzofuran-3-carboxylate Ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate
Wiley ID 1653989