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5-Bromo-3-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid methyl ester
SpectraBase Compound ID GkyDkfJSHvt
InChI InChI=1S/C22H22BrNO6/c1-4-28-17-8-6-13(10-18(17)29-5-2)11-19(25)24-20-15-12-14(23)7-9-16(15)30-21(20)22(26)27-3/h6-10,12H,4-5,11H2,1-3H3,(H,24,25)
InChIKey RMOFJUDXGPQSDJ-UHFFFAOYSA-N
Mol Weight 476.32 g/mol
Molecular Formula C22H22BrNO6
Exact Mass 475.06305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NpzGAXRV0P
Name 5-Bromo-3-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid methyl ester
Alternate Name(s) 5-Bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]coumarilic acid methyl ester Methyl 5-bromanyl-3-[2-(3,4-diethoxyphenyl)ethanoylamino]-1-benzofuran-2-carboxylate Methyl 5-bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate Methyl 5-bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]benzofuran-2-carboxylate Methyl 5-bromo-3-{[(3,4-diethoxyphenyl)acetyl]amino}-1-benzofuran-2-carboxylate
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Formula C22H22BrNO6
InChI InChI=1S/C22H22BrNO6/c1-4-28-17-8-6-13(10-18(17)29-5-2)11-19(25)24-20-15-12-14(23)7-9-16(15)30-21(20)22(26)27-3/h6-10,12H,4-5,11H2,1-3H3,(H,24,25)
InChIKey RMOFJUDXGPQSDJ-UHFFFAOYSA-N
Molecular Weight 476.323 g/mol
SMILES N(c1c(oc2ccc(cc12)Br)C(=O)OC)C(=O)Cc1cc(OCC)c(cc1)OCC
SPLASH splash10-0a4i-4970000000-02df40ca5d7b21119805
Wiley ID 1453005