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7-BENZYLOXY-1-{4-[3-(2-METHYL-1,3-DIOXALAN-2-YL)]-PYRIDYLMETHYL}-6-METHOXYISOCHINOLINE
SpectraBase Compound ID 5J4KWqmPOMH
InChI InChI=1S/C27H26N2O4/c1-27(32-12-13-33-27)23-17-28-10-8-21(23)14-24-22-16-26(31-18-19-6-4-3-5-7-19)25(30-2)15-20(22)9-11-29-24/h3-11,15-17H,12-14,18H2,1-2H3
InChIKey PTXXAJMZEBHYIS-UHFFFAOYSA-N
Mol Weight 442.52 g/mol
Molecular Formula C27H26N2O4
Exact Mass 442.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VubAq03hVE
Name 7-Benzyloxy-1-{-4'-[3"-(2"'-methyl-1'",3'"-dioxolan-2'"-yl)]pyridylmethyl}-6-methoxyisoquinoline
Alternate Name(s) 7-(benzyloxy)-6-methoxy-1-{[3-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]methyl}isoquinoline 7-Benzyloxy-1-{-4'-[3''-(2'''-methyl-1''',3'''-dioxolan-2'''-yl)]pyridylmethyl}-6-methoxyisoquinoline 6-Methoxy-1-[[3-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]methyl]-7-phenylmethoxyisoquinoline 6-Methoxy-1-[[3-(2-methyl-1,3-dioxolan-2-yl)pyridin-4-yl]methyl]-7-phenylmethoxyisoquinoline 7-Benzyloxy-6-methoxy-1-[[3-(2-methyl-1,3-dioxolan-2-yl)-4-pyridyl]methyl]isoquinoline 6-Methoxy-1-[[3-(2-methyl-1,3-dioxolan-2-yl)pyridin-4-yl]methyl]-7-phenylmethoxy-isoquinoline
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Formula C27H26N2O4
InChI InChI=1S/C27H26N2O4/c1-27(32-12-13-33-27)23-17-28-10-8-21(23)14-24-22-16-26(31-18-19-6-4-3-5-7-19)25(30-2)15-20(22)9-11-29-24/h3-11,15-17H,12-14,18H2,1-2H3
InChIKey PTXXAJMZEBHYIS-UHFFFAOYSA-N
Molecular Weight 442.515 g/mol
SMILES c1(C2(OCCO2)C)c(Cc2c3cc(OCc4ccccc4)c(cc3ccn2)OC)ccnc1
SPLASH splash10-052f-7009200000-488fd3ff1d260e11d7a0
Source of Spectrum AH-125-1403-5
Wiley ID 1385439