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8-Benzyloxy-1-(2'-bromo-3',4'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
SpectraBase Compound ID Fo5PIzhzRI7
InChI InChI=1S/C27H27BrNO4.HI/c1-29-15-14-19-10-12-22(30-2)26(33-17-18-8-6-5-7-9-18)24(19)21(29)16-20-11-13-23(31-3)27(32-4)25(20)28;/h5-15H,16-17H2,1-4H3;1H/q+1;/p-1
InChIKey FHXXFLOLAZAJTA-UHFFFAOYSA-M
Mol Weight 636.32 g/mol
Molecular Formula C27H27BrINO4
Exact Mass 635.016816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuIEBcmuY5U
Name 8-Benzyloxy-1-(2'-bromo-3',4'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrINO4
InChI InChI=1S/C27H27BrNO4.HI/c1-29-15-14-19-10-12-22(30-2)26(33-17-18-8-6-5-7-9-18)24(19)21(29)16-20-11-13-23(31-3)27(32-4)25(20)28;/h5-15H,16-17H2,1-4H3;1H/q+1;/p-1
InChIKey FHXXFLOLAZAJTA-UHFFFAOYSA-M
Molecular Weight 636.324 g/mol
SMILES [I-].c1([n+](ccc2c1c(OCc1ccccc1)c(OC)cc2)C)Cc1c(c(OC)c(cc1)OC)Br
SPLASH splash10-03gi-0034920000-5ffe055df4365f8d1206
Source of Spectrum Y-24-316-6
Synonyms 8-(benzyloxy)-1-(2-bromo-3,4-dimethoxybenzyl)-7-methoxy-2-methylisoquinolinium iodide
Wiley ID 1412322