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1-[(6-bromo-3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID Ad8e3KBgQNr
InChI InChI=1S/C27H30BrNO6/c1-4-33-25(30)24-19-15-22(32-3)20(28)16-21(19)35-23(24)17-29-13-11-27(12-14-29,26(31)34-5-2)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14,17H2,1-3H3
InChIKey MIJHURZOAFQRHH-UHFFFAOYSA-N
Mol Weight 544.44 g/mol
Molecular Formula C27H30BrNO6
Exact Mass 543.125651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7N1TR9iHofI
Name 1-[(6-bromo-3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-isonipecotic acid ethyl ester
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Formula C27H30BrNO6
InChI InChI=1S/C27H30BrNO6/c1-4-33-25(30)24-19-15-22(32-3)20(28)16-21(19)35-23(24)17-29-13-11-27(12-14-29,26(31)34-5-2)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14,17H2,1-3H3
InChIKey MIJHURZOAFQRHH-UHFFFAOYSA-N
Molecular Weight 544.442 g/mol
SMILES c1(c2c(cc(c(c2)OC)Br)oc1CN1CCC(CC1)(C(=O)OCC)c1ccccc1)C(=O)OCC
SPLASH splash10-053f-9774020000-c4cecee8a4fe3b96a3a1
Synonyms 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-2-benzofuranyl)methyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[(6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpiperidine-4-carboxylate Ethyl 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-piperidine-4-carboxylate
Wiley ID 1454889