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4-(6-Bromo-1,2-dimethyl-1H-indol-3-yl)-3-(ethoxycarbonyl)-2-(propan-2-ylidene)pent-3-enoic Acid
SpectraBase Compound ID DTJABFGMRYO
InChI InChI=1S/C21H24BrNO4/c1-7-27-21(26)19(17(11(2)3)20(24)25)12(4)18-13(5)23(6)16-10-14(22)8-9-15(16)18/h8-10H,7H2,1-6H3,(H,24,25)/b19-12-
InChIKey PKOLBBDCXGNKML-UNOMPAQXSA-N
Mol Weight 434.33 g/mol
Molecular Formula C21H24BrNO4
Exact Mass 433.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lyjYSy9q9l
Name 4-(6-Bromo-1,2-dimethyl-1H-indol-3-yl)-3-(ethoxycarbonyl)-2-(propan-2-ylidene)pent-3-enoic Acid
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Formula C21H24BrNO4
InChI InChI=1S/C21H24BrNO4/c1-7-27-21(26)19(17(11(2)3)20(24)25)12(4)18-13(5)23(6)16-10-14(22)8-9-15(16)18/h8-10H,7H2,1-6H3,(H,24,25)/b19-12-
InChIKey PKOLBBDCXGNKML-UNOMPAQXSA-N
Molecular Weight 434.330 g/mol
SMILES OC(C(\C(=C\(c1c([n](C)c2c1ccc(Br)c2)C)C)C(=O)OCC)=C(C)C)=O
SPLASH splash10-00y0-0121900000-51dcdcc5a059e8d66b11
Source of Spectrum U1-2010-2092-7
Synonyms (Z)-4-(6-bromo-1,2-dimethyl-3-indolyl)-3-ethoxycarbonyl-2-propan-2-ylidene-3-pentenoic acid (Z)-4-(6-bromo-1,2-dimethylindol-3-yl)-3-ethoxycarbonyl-2-propan-2-ylidenepent-3-enoic acid (Z)-4-(6-bromo-1,2-dimethyl-indol-3-yl)-3-ethoxycarbonyl-2-isopropylidene-pent-3-enoic acid (Z)-4-(6-bromanyl-1,2-dimethyl-indol-3-yl)-3-ethoxycarbonyl-2-propan-2-ylidene-pent-3-enoic acid
Wiley ID 1663668