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1-Methyl-4-(3'-bromo-4',5'-dimethoxyphenyl)-5-(4''-N,N-dimethylaminophenyl)imidazole
SpectraBase Compound ID J6XPU11NoTL
InChI InChI=1S/C20H22BrN3O2/c1-23(2)15-8-6-13(7-9-15)19-18(22-12-24(19)3)14-10-16(21)20(26-5)17(11-14)25-4/h6-12H,1-5H3
InChIKey NCNUYOCMYGYZMR-UHFFFAOYSA-N
Mol Weight 416.32 g/mol
Molecular Formula C20H22BrN3O2
Exact Mass 415.08954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FqFTqlcUzr
Name 1-Methyl-4-(3'-bromo-4',5'-dimethoxyphenyl)-5-(4''-N,N-dimethylaminophenyl)imidazole
Appearance Colorless gum
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Formula C20H22BrN3O2
InChI InChI=1S/C20H22BrN3O2/c1-23(2)15-8-6-13(7-9-15)19-18(22-12-24(19)3)14-10-16(21)20(26-5)17(11-14)25-4/h6-12H,1-5H3
InChIKey NCNUYOCMYGYZMR-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/jm100345r
Molecular Weight 416.319 g/mol
SMILES c1c(c(c(cc1-c1nc[n](C)c1-c1ccc(cc1)N(C)C)Br)OC)OC
SPLASH splash10-0lgm-3390600000-92bac6cc6f9cc01a3822
Source of Spectrum AF-53-SM9-8d
Thin-Layer Chromatography Rf = 0.65 (ethyl acetate/methanol, 95:5)
Wiley ID 1846262