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N-Methyl-1-[2'-nitro-3',5'-dimethoxybenzyl]-6,7-(methylenedioxy)-3,4-dihydroisoisoquinolin-1-yl iodide
SpectraBase Compound ID 4eri1aRB3Rr
InChI InChI=1S/C20H21IN2O6/c1-22-5-4-12-7-16-17(29-11-28-16)9-15(12)20(22,21)10-13-6-14(26-2)8-18(27-3)19(13)23(24)25/h6-9H,4-5,10-11H2,1-3H3
InChIKey GNCZUNFLFGFGNC-UHFFFAOYSA-N
Mol Weight 512.3 g/mol
Molecular Formula C20H21IN2O6
Exact Mass 512.044431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRrTv9z57OB
Name N-Methyl-1-[2'-nitro-3',5'-dimethoxybenzyl]-6,7-(methylenedioxy)-3,4-dihydroisoisoquinolin-1-yl iodide
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Formula C20H21IN2O6
InChI InChI=1S/C20H21IN2O6/c1-22-5-4-12-7-16-17(29-11-28-16)9-15(12)20(22,21)10-13-6-14(26-2)8-18(27-3)19(13)23(24)25/h6-9H,4-5,10-11H2,1-3H3
InChIKey GNCZUNFLFGFGNC-UHFFFAOYSA-N
Molecular Weight 512.300 g/mol
SMILES C1(c2c(cc3c(c2)OCO3)CCN1C)(Cc1c(N(=O)=O)c(cc(c1)OC)OC)I
SPLASH splash10-014u-0950000000-7a2510e2d27d7bdbaa01
Source of Spectrum AC-1990-266-15
Wiley ID 747823