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Tetrahydrocolumbamine methyl iodide
SpectraBase Compound ID LGlEKH57sXF
InChI InChI=1S/C20H23NO4.CH3I/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3;1-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3;1H3/t16-;/m0./s1
InChIKey JYZAEIWREZHTBH-NTISSMGPSA-N
Mol Weight 483.35 g/mol
Molecular Formula C21H26INO4
Exact Mass 483.090653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtapxJCeRBm
Name Tetrahydrocolumbamine methyl iodide
Alternate Name(s) (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol compound with iodomethane (1:1) Tetrahydrocolumbamine methiodide
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Formula C21H26INO4
InChI InChI=1S/C20H23NO4.CH3I/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3;1-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3;1H3/t16-;/m0./s1
InChIKey JYZAEIWREZHTBH-NTISSMGPSA-N
Molecular Weight 483.346 g/mol
SMILES CI.Oc1cc2[C@]3(N(Cc4c(ccc(c4OC)OC)C3)CCc2cc1OC)[H]
SPLASH splash10-0006-0902000000-0845e18e81591d50b70b
Source of Spectrum O-19-606-5
Wiley ID 1395779