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8-Benzyloxy-1-(3',4'-dibenzyloxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
SpectraBase Compound ID T0ylEaHbTB
InChI InChI=1S/C39H36NO4.HI/c1-40-23-22-33-19-21-36(41-2)39(44-28-31-16-10-5-11-17-31)38(33)34(40)24-32-18-20-35(42-26-29-12-6-3-7-13-29)37(25-32)43-27-30-14-8-4-9-15-30;/h3-23,25H,24,26-28H2,1-2H3;1H/q+1;/p-1
InChIKey UQACZOHWJSTUPL-UHFFFAOYSA-M
Mol Weight 709.6 g/mol
Molecular Formula C39H36INO4
Exact Mass 709.168904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gqa0UGuExv
Name 8-Benzyloxy-1-(3',4'-dibenzyloxybenzyl)-7-methoxy-N-methylisoquinolinium iodide
Alternate Name(s) 8-(benzyloxy)-1-[3,4-bis(benzyloxy)benzyl]-7-methoxy-2-methylisoquinolinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36INO4
InChI InChI=1S/C39H36NO4.HI/c1-40-23-22-33-19-21-36(41-2)39(44-28-31-16-10-5-11-17-31)38(33)34(40)24-32-18-20-35(42-26-29-12-6-3-7-13-29)37(25-32)43-27-30-14-8-4-9-15-30;/h3-23,25H,24,26-28H2,1-2H3;1H/q+1;/p-1
InChIKey UQACZOHWJSTUPL-UHFFFAOYSA-M
Molecular Weight 709.624 g/mol
SMILES [I-].c1([n+](ccc2c1c(OCc1ccccc1)c(OC)cc2)C)Cc1cc(OCc2ccccc2)c(cc1)OCc1ccccc1
SPLASH splash10-00kf-9052200000-44458ec32cddc28c7ee9
Source of Spectrum Y-24-618-6
Wiley ID 1415318