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1-Bromo-8-ethoxycarbonyl-7,9-dimethylbenzopyrromethylene hydrobromide
SpectraBase Compound ID B2kzOxIOFOx
InChI InChI=1S/C18H17BrN2O2.BrH/c1-4-23-18(22)16-10(2)14(20-11(16)3)9-15-12-7-5-6-8-13(12)17(19)21-15;/h5-9,20H,4H2,1-3H3;1H/b15-9+;
InChIKey OKDKETODWCZXPP-NSPIFIKESA-N
Mol Weight 454.16 g/mol
Molecular Formula C18H18Br2N2O2
Exact Mass 451.973504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GXdG5iNKbZ
Name 1-Bromo-8-ethoxycarbonyl-7,9-dimethylbenzopyrromethylene hydrobromide
Comments Less than 3 mono-isotopic peaks
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Formula C18H18Br2N2O2
InChI InChI=1S/C18H17BrN2O2.BrH/c1-4-23-18(22)16-10(2)14(20-11(16)3)9-15-12-7-5-6-8-13(12)17(19)21-15;/h5-9,20H,4H2,1-3H3;1H/b15-9+;
InChIKey OKDKETODWCZXPP-NSPIFIKESA-N
Molecular Weight 454.162 g/mol
SMILES [Br-].[NH+]1=C(c2ccccc2\C1=C\c1c(c(c([nH]1)C)C(=O)OCC)C)Br
SPLASH splash10-00di-0009000000-5615bcbc6a7d12855e2b
Source of Spectrum KC-0-2464-6
Synonyms (1E)-3-bromo-1-{[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene}-1H-isoindolium bromide
Wiley ID 786603