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3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-[(4-phenyl-1-piperazinyl)methyl]-, ethyl ester
SpectraBase Compound ID AGZtAQfXBhz
InChI InChI=1S/C22H23BrN2O4/c1-2-28-22(27)21-16-12-18(26)17(23)13-19(16)29-20(21)14-24-8-10-25(11-9-24)15-6-4-3-5-7-15/h3-7,12-13,26H,2,8-11,14H2,1H3
InChIKey CLHXXLWLFNWSLY-UHFFFAOYSA-N
Mol Weight 459.34 g/mol
Molecular Formula C22H23BrN2O4
Exact Mass 458.08412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TdXMuvk3pR
Name 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-[(4-phenyl-1-piperazinyl)methyl]-, ethyl ester
Alternate Name(s) 6-Bromo-5-hydroxy-2-[(4-phenyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester Ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-carboxylate Ethyl 6-bromanyl-5-oxidanyl-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
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Formula C22H23BrN2O4
InChI InChI=1S/C22H23BrN2O4/c1-2-28-22(27)21-16-12-18(26)17(23)13-19(16)29-20(21)14-24-8-10-25(11-9-24)15-6-4-3-5-7-15/h3-7,12-13,26H,2,8-11,14H2,1H3
InChIKey CLHXXLWLFNWSLY-UHFFFAOYSA-N
Molecular Weight 459.340 g/mol
SMILES Oc1c(Br)cc2c(c(c(o2)CN2CCN(c3ccccc3)CC2)C(=O)OCC)c1
SPLASH splash10-0bt9-4920000000-0185ec8c9010845626b1
Source of Spectrum IY-1-4515-9
Wiley ID 1653142