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8-Benzyloxy-1-(2'-bromo-4',5'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
SpectraBase Compound ID 1hcEmIb8HAt
InChI InChI=1S/C27H27BrNO4.HI/c1-29-13-12-19-10-11-23(30-2)27(33-17-18-8-6-5-7-9-18)26(19)22(29)14-20-15-24(31-3)25(32-4)16-21(20)28;/h5-13,15-16H,14,17H2,1-4H3;1H/q+1;/p-1
InChIKey NBISAOTXKRYAIM-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 AxdjKByo57U
Name 8-Benzyloxy-1-(2'-bromo-4',5'-dimethoxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
Alternate Name(s) 8-(benzyloxy)-1-(2-bromo-4,5-dimethoxybenzyl)-7-methoxy-2-methylisoquinolinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrINO4
InChI InChI=1S/C27H27BrNO4.HI/c1-29-13-12-19-10-11-23(30-2)27(33-17-18-8-6-5-7-9-18)26(19)22(29)14-20-15-24(31-3)25(32-4)16-21(20)28;/h5-13,15-16H,14,17H2,1-4H3;1H/q+1;/p-1
InChIKey NBISAOTXKRYAIM-UHFFFAOYSA-M
Molecular Weight 636.324 g/mol
SMILES [I-].c1([n+](ccc2c1c(OCc1ccccc1)c(OC)cc2)C)Cc1c(cc(c(c1)OC)OC)Br
SPLASH splash10-0096-3907000000-ce692bd62b7cb062b552
Source of Spectrum Y-24-316-6
Wiley ID 1412321