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3-(2'-bromo-3',4',5'-trimethoxy-6'-(1''-methyl-1H-indol-5''-yl)phenyl)propanoic acid methyl ester
SpectraBase Compound ID 3bia87h0D0p
InChI InChI=1S/C22H24BrNO5/c1-24-11-10-13-12-14(6-8-16(13)24)18-15(7-9-17(25)26-2)19(23)21(28-4)22(29-5)20(18)27-3/h6,8,10-12H,7,9H2,1-5H3
InChIKey KIROHPFDWRGOGQ-UHFFFAOYSA-N
Mol Weight 462.34 g/mol
Molecular Formula C22H24BrNO5
Exact Mass 461.083786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQvki9avXrE
Name 3-(2'-bromo-3',4',5'-trimethoxy-6'-(1''-methyl-1H-indol-5''-yl)phenyl)propanoic acid methyl ester
Appearance Yellow solid
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Formula C22H24BrNO5
InChI InChI=1S/C22H24BrNO5/c1-24-11-10-13-12-14(6-8-16(13)24)18-15(7-9-17(25)26-2)19(23)21(28-4)22(29-5)20(18)27-3/h6,8,10-12H,7,9H2,1-5H3
InChIKey KIROHPFDWRGOGQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 462.340 g/mol
Reported Formula C22H24BrNO5
SMILES C(CCc1c(c(c(c(c1-c1cc2c(cc1)[n](cc2)C)OC)OC)OC)Br)(=O)OC
SPLASH splash10-0bu0-0098200000-7f76719c2b80b59eaf06
Source of Spectrum RU2500670C1
Thin-Layer Chromatography Rf = 0.25 (EtOAc/CyH, 1:5)
Wiley ID 1852424