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8-Benzyloxy-1-(2'-bromo-4',5'-methylenedioxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
SpectraBase Compound ID ASfMoymuse5
InChI InChI=1S/C26H23BrNO4.HI/c1-28-11-10-18-8-9-22(29-2)26(30-15-17-6-4-3-5-7-17)25(18)21(28)12-19-13-23-24(14-20(19)27)32-16-31-23;/h3-11,13-14H,12,15-16H2,1-2H3;1H/q+1;/p-1
InChIKey ALEGKCCKVJEQAB-UHFFFAOYSA-M
Mol Weight 620.28 g/mol
Molecular Formula C26H23BrINO4
Exact Mass 618.985516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FymcMYoiYcD
Name 8-Benzyloxy-1-(2'-bromo-4',5'-methylenedioxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
Alternate Name(s) 8-(benzyloxy)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methylisoquinolinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23BrINO4
InChI InChI=1S/C26H23BrNO4.HI/c1-28-11-10-18-8-9-22(29-2)26(30-15-17-6-4-3-5-7-17)25(18)21(28)12-19-13-23-24(14-20(19)27)32-16-31-23;/h3-11,13-14H,12,15-16H2,1-2H3;1H/q+1;/p-1
InChIKey ALEGKCCKVJEQAB-UHFFFAOYSA-M
Molecular Weight 620.281 g/mol
SMILES [I-].c1([n+](ccc2c1c(OCc1ccccc1)c(OC)cc2)C)Cc1c(cc2c(c1)OCO2)Br
SPLASH splash10-0002-1029000000-7787e045e9163a3193bc
Source of Spectrum Y-24-316-6
Wiley ID 1411483