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1-Methyl-4-(3'-amino-4',5'-dimethoxyphenyl)-5-(N-methyl-3''-chloroindole-5''-yl)-imidazole
SpectraBase Compound ID G9nyhG9Q7h4
InChI InChI=1S/C21H21ClN4O2/c1-25-10-15(22)14-7-12(5-6-17(14)25)20-19(24-11-26(20)2)13-8-16(23)21(28-4)18(9-13)27-3/h5-11H,23H2,1-4H3
InChIKey LABPYYIGRXUQMR-UHFFFAOYSA-N
Mol Weight 396.88 g/mol
Molecular Formula C21H21ClN4O2
Exact Mass 396.135304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2yNpiBCvnk
Name 1-Methyl-4-(3'-amino-4',5'-dimethoxyphenyl)-5-(N-methyl-3''-chloroindole-5''-yl)-imidazole
Appearance Colorless oil
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Formula C21H21ClN4O2
InChI InChI=1S/C21H21ClN4O2/c1-25-10-15(22)14-7-12(5-6-17(14)25)20-19(24-11-26(20)2)13-8-16(23)21(28-4)18(9-13)27-3/h5-11H,23H2,1-4H3
InChIKey LABPYYIGRXUQMR-UHFFFAOYSA-N
Instrument Name VARIAN MAT 311A
Ionization Type EI
Molecular Weight 396.878 g/mol
SMILES Nc1c(c(cc(-c2c(-c3ccc4[n](C)cc(Cl)c4c3)[n](C)cn2)c1)OC)OC
SPLASH splash10-001j-0009000000-90fa437383c11923321a
Source of Spectrum CN102985410A
Thin-Layer Chromatography Rf = 0.44 (ethyl acetate/methanol, 95:5)
Wiley ID 1847190