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2-METHYL-6,7-DIMETHOXY-3'-HYDROXY-4'-METHOXYOXOBENZYLISOQUINOLINE-IODIDE
SpectraBase Compound ID 3Gse5sTErWr
InChI InChI=1S/C20H19NO5.HI/c1-21-8-7-12-10-17(25-3)18(26-4)11-14(12)19(21)20(23)13-5-6-16(24-2)15(22)9-13;/h5-11H,1-4H3;1H
InChIKey NVXOQHJOXFSPMC-UHFFFAOYSA-N
Mol Weight 481.29 g/mol
Molecular Formula C20H20INO5
Exact Mass 481.038618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G49WlISsa0f
Name 6,7-Dimethoxy-2-methyl-4'-methoxy-3'-hydroxybenzoyl-isoquinoline - Iodide
Alternate Name(s) (6,7-dimethoxy-2-methyl-1-isoquinolin-2-iumyl)-(3-hydroxy-4-methoxyphenyl)methanone iodide (6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)-(3-hydroxy-4-methoxy-phenyl)methanone iodide (6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)-(4-methoxy-3-oxidanyl-phenyl)methanone iodide 1-(3-hydroxy-4-methoxybenzoyl)-6,7-dimethoxy-2-methylisoquinolinium iodide (6,7-dimethoxy-2-methyl-1-isoquinolin-2-iumyl)-(3-hydroxy-4-methoxyphenyl)methanone;iodide (6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone;iodide (6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)-(4-methoxy-3-oxidanyl-phenyl)methanone;iodide
Comments Less than 3 mono-isotopic peaks
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Formula C20H20INO5
InChI InChI=1S/C20H19NO5.HI/c1-21-8-7-12-10-17(25-3)18(26-4)11-14(12)19(21)20(23)13-5-6-16(24-2)15(22)9-13;/h5-11H,1-4H3;1H
InChIKey NVXOQHJOXFSPMC-UHFFFAOYSA-N
Molecular Weight 481.286 g/mol
SMILES [I-].Oc1cc(C(c2c3cc(OC)c(cc3cc[n+]2C)OC)=O)ccc1OC
SPLASH splash10-0udi-0009000000-c8c3a44286efead36247
Source of Spectrum G4-64-826-2
Wiley ID 1609046