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1-Methyl-4-(3'-bromo-4',5'-dimethoxyphenyl)-5-(4''-methoxy-3''-nitrophenyl)-imidazole
SpectraBase Compound ID tTGITv6Vjf
InChI InChI=1S/C19H18BrN3O5/c1-22-10-21-17(12-7-13(20)19(28-4)16(9-12)27-3)18(22)11-5-6-15(26-2)14(8-11)23(24)25/h5-10H,1-4H3
InChIKey CMNMBAJZDDDVQV-UHFFFAOYSA-N
Mol Weight 448.27 g/mol
Molecular Formula C19H18BrN3O5
Exact Mass 447.042984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UIAqhep7I
Name 1-Methyl-4-(3'-bromo-4',5'-dimethoxyphenyl)-5-(4''-methoxy-3''-nitrophenyl)-imidazole
Appearance Yellow oil
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Formula C19H18BrN3O5
InChI InChI=1S/C19H18BrN3O5/c1-22-10-21-17(12-7-13(20)19(28-4)16(9-12)27-3)18(22)11-5-6-15(26-2)14(8-11)23(24)25/h5-10H,1-4H3
InChIKey CMNMBAJZDDDVQV-UHFFFAOYSA-N
Instrument Name VARIAN MAT 311A
Ionization Type EI
Molecular Weight 448.273 g/mol
SMILES c1nc(c([n]1C)-c1cc(c(cc1)OC)[N+](=O)[O-])-c1cc(c(c(c1)OC)OC)Br
SPLASH splash10-0002-0000900000-ca659cb0ee31bc726b9b
Source of Spectrum CN102985410A
Thin-Layer Chromatography Rf = 0.36 (ethyl acetate)
Wiley ID 1847170