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N-[7-(Methoxycarbonyl)heptyl]phenanthridinium iodide
SpectraBase Compound ID HVnKDTpYYOP
InChI InChI=1S/C22H26NO2.HI/c1-25-22(24)15-5-3-2-4-10-16-23-17-18-11-6-7-12-19(18)20-13-8-9-14-21(20)23;/h6-9,11-14,17H,2-5,10,15-16H2,1H3;1H/q+1;/p-1
InChIKey DNHQVKAOGDTQDO-UHFFFAOYSA-M
Mol Weight 463.36 g/mol
Molecular Formula C22H26INO2
Exact Mass 463.100824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyoTPzWZxVQ
Name N-[7-(Methoxycarbonyl)heptyl]phenanthridinium iodide
Alternate Name(s) 5-(8-Methoxy-8-oxooctyl)phenanthridinium iodide 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester iodide 8-Phenanthridin-5-ium-5-ylcaprylic acid methyl ester iodide Methyl 8-phenanthridin-5-ium-5-yloctanoate iodide 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester;iodide Methyl 8-phenanthridin-5-ium-5-yloctanoate;iodide
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Formula C22H26INO2
InChI InChI=1S/C22H26NO2.HI/c1-25-22(24)15-5-3-2-4-10-16-23-17-18-11-6-7-12-19(18)20-13-8-9-14-21(20)23;/h6-9,11-14,17H,2-5,10,15-16H2,1H3;1H/q+1;/p-1
InChIKey DNHQVKAOGDTQDO-UHFFFAOYSA-M
Molecular Weight 463.359 g/mol
SMILES [I-].c12[n+](cc3c(c2cccc1)cccc3)CCCCCCCC(=O)OC
SPLASH splash10-004i-0901000000-25384aa36a0e85319925
Source of Spectrum KC-0-2626-2
Wiley ID 786703