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4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester
SpectraBase Compound ID 8vOj0XaIdO5
InChI InChI=1S/C29H32BrNO6/c1-6-36-24-14-19(11-21(30)28(24)33)26-25(29(34)37-15(2)3)16(4)31-22-12-18(13-23(32)27(22)26)17-7-9-20(35-5)10-8-17/h7-11,14-15,18,26,31,33H,6,12-13H2,1-5H3
InChIKey BOSCIYXSYUMTRP-UHFFFAOYSA-N
Mol Weight 570.5 g/mol
Molecular Formula C29H32BrNO6
Exact Mass 569.141301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8JtnBlx9cp
Name 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester
Alternate Name(s) 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester isopropyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Propan-2-yl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Propan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
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Formula C29H32BrNO6
InChI InChI=1S/C29H32BrNO6/c1-6-36-24-14-19(11-21(30)28(24)33)26-25(29(34)37-15(2)3)16(4)31-22-12-18(13-23(32)27(22)26)17-7-9-20(35-5)10-8-17/h7-11,14-15,18,26,31,33H,6,12-13H2,1-5H3
InChIKey BOSCIYXSYUMTRP-UHFFFAOYSA-N
Molecular Weight 570.480 g/mol
SMILES N1C(=C(C(c2cc(c(c(c2)Br)O)OCC)C=2C(CC(CC12)c1ccc(cc1)OC)=O)C(OC(C)C)=O)C
SPLASH splash10-0ukc-9327010000-f47b1ea60426e7979101
Wiley ID 1439009