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8-Benzyloxy-1-(3',4'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolineium iodide
SpectraBase Compound ID LvpI8JymL1
InChI InChI=1S/C27H28NO4.HI/c1-28-15-14-21-11-13-24(30-3)27(32-18-19-8-6-5-7-9-19)26(21)22(28)16-20-10-12-23(29-2)25(17-20)31-4;/h5-15,17H,16,18H2,1-4H3;1H/q+1;/p-1
InChIKey KEXDESLWZOGWHY-UHFFFAOYSA-M
Mol Weight 557.43 g/mol
Molecular Formula C27H28INO4
Exact Mass 557.106303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyrOW6T3pYn
Name 8-Benzyloxy-1-(3',4'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolineium iodide
Alternate Name(s) 8-Benzyloxy-1-(3',4'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolinium iodide 8-(benzyloxy)-1-(3,4-dimethoxybenzyl)-7-methoxy-2-methylisoquinolinium iodide
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Formula C27H28INO4
InChI InChI=1S/C27H28NO4.HI/c1-28-15-14-21-11-13-24(30-3)27(32-18-19-8-6-5-7-9-19)26(21)22(28)16-20-10-12-23(29-2)25(17-20)31-4;/h5-15,17H,16,18H2,1-4H3;1H/q+1;/p-1
InChIKey KEXDESLWZOGWHY-UHFFFAOYSA-M
Molecular Weight 557.428 g/mol
SMILES [I-].c1([n+](ccc2c1c(OCc1ccccc1)c(OC)cc2)C)Cc1cc(OC)c(cc1)OC
SPLASH splash10-0f6x-2941000000-4f62311b502b190a7cdb
Source of Spectrum Y-24-98-17
Wiley ID 1406483