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1-(2'-Bromo-4',5'-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium iodide
SpectraBase Compound ID GfwmyB6kLN3
InChI InChI=1S/C21H23BrNO4.HI/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22;/h6-7,9-12H,8H2,1-5H3;1H/q+1;/p-1
InChIKey TTZKCDWIDKALCA-UHFFFAOYSA-M
Mol Weight 560.23 g/mol
Molecular Formula C21H23BrINO4
Exact Mass 558.985516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPeQCMiMhwX
Name 1-(2'-Bromo-4',5'-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium iodide
Alternate Name(s) 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide 1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium iodide 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium;iodide 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium;iodide 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium;iodide
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Formula C21H23BrINO4
InChI InChI=1S/C21H23BrNO4.HI/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22;/h6-7,9-12H,8H2,1-5H3;1H/q+1;/p-1
InChIKey TTZKCDWIDKALCA-UHFFFAOYSA-M
Molecular Weight 560.226 g/mol
SMILES [I-].c1([n+](ccc2c1cc(OC)c(c2)OC)C)Cc1c(cc(c(c1)OC)OC)Br
SPLASH splash10-0006-9000800000-31c54b4a670c4fb19a0f
Source of Spectrum F-56-6028-9
Wiley ID 858052