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N-[4-(Ethoxycarbonyl)butyl]phenanthridinium chloride
SpectraBase Compound ID AJVOj7fuXLg
InChI InChI=1S/C20H22NO2.ClH/c1-2-23-20(22)13-7-8-14-21-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)21;/h3-6,9-12,15H,2,7-8,13-14H2,1H3;1H/q+1;/p-1
InChIKey QDWOUKDWPUIPDS-UHFFFAOYSA-M
Mol Weight 343.85 g/mol
Molecular Formula C20H22ClNO2
Exact Mass 343.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dkqczh0q97z
Name N-[4-(Ethoxycarbonyl)butyl]phenanthridinium chloride
Alternate Name(s) 5-(5-Ethoxy-5-oxopentyl)phenanthridinium chloride 5-(5-phenanthridin-5-iumyl)pentanoic acid ethyl ester chloride 5-Phenanthridin-5-ium-5-ylvaleric acid ethyl ester chloride Ethyl 5-phenanthridin-5-ium-5-ylpentanoate chloride 5-(5-phenanthridin-5-iumyl)pentanoic acid ethyl ester;chloride Ethyl 5-phenanthridin-5-ium-5-ylpentanoate;chloride
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Formula C20H22ClNO2
InChI InChI=1S/C20H22NO2.ClH/c1-2-23-20(22)13-7-8-14-21-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)21;/h3-6,9-12,15H,2,7-8,13-14H2,1H3;1H/q+1;/p-1
InChIKey QDWOUKDWPUIPDS-UHFFFAOYSA-M
Molecular Weight 343.854 g/mol
SMILES [Cl-].c12[n+](cc3c(c2cccc1)cccc3)CCCCC(=O)OCC
SPLASH splash10-004i-0900000000-1e16f115be23646a84a6
Source of Spectrum KC-0-2627-3
Wiley ID 786701