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4-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol iodide
SpectraBase Compound ID yweniUrewB
InChI InChI=1S/C20H25NO3.HI/c1-21(2)10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22)8-6-14;/h5-8,12-13,18H,9-11H2,1-4H3;1H
InChIKey YINKCESSROTJJF-UHFFFAOYSA-N
Mol Weight 455.34 g/mol
Molecular Formula C20H26INO3
Exact Mass 455.095739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm7Hg7rQPMR
Name 4-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol iodide
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Formula C20H26INO3
InChI InChI=1S/C20H25NO3.HI/c1-21(2)10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22)8-6-14;/h5-8,12-13,18H,9-11H2,1-4H3;1H
InChIKey YINKCESSROTJJF-UHFFFAOYSA-N
Molecular Weight 455.336 g/mol
SMILES [I-].Oc1ccc(cc1)CC1c2c(cc(c(c2)OC)OC)CC[N+]1(C)C
SPLASH splash10-0a4i-9530000000-fe0d0c62dc7a7199de43
Wiley ID 1446409