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1-[2-Nitro-5-benzyloxybenzyl]-6,7-dimethoxyisoquinoline
SpectraBase Compound ID IiqlFt1YoTL
InChI InChI=1S/C25H22N2O5/c1-30-24-14-18-10-11-26-22(21(18)15-25(24)31-2)13-19-12-20(8-9-23(19)27(28)29)32-16-17-6-4-3-5-7-17/h3-12,14-15H,13,16H2,1-2H3
InChIKey OOZVGTIERRCEEV-UHFFFAOYSA-N
Mol Weight 430.46 g/mol
Molecular Formula C25H22N2O5
Exact Mass 430.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EuZHJ8dkI1
Name 1-[2-Nitro-5-benzyloxybenzyl]-6,7-dimethoxyisoquinoline
Alternate Name(s) 1-[5-(benzyloxy)-2-nitrobenzyl]-6,7-dimethoxyisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O5
InChI InChI=1S/C25H22N2O5/c1-30-24-14-18-10-11-26-22(21(18)15-25(24)31-2)13-19-12-20(8-9-23(19)27(28)29)32-16-17-6-4-3-5-7-17/h3-12,14-15H,13,16H2,1-2H3
InChIKey OOZVGTIERRCEEV-UHFFFAOYSA-N
Molecular Weight 430.460 g/mol
SMILES c1(N(=O)=O)c(Cc2c3cc(OC)c(cc3ccn2)OC)cc(cc1)OCc1ccccc1
SPLASH splash10-000x-8039000000-3a46f8fe5bd962a03da1
Source of Spectrum H1-36-2493-20
Wiley ID 755605