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N-[4-(Ethoxycarbonyl)butyl]phenanthridinium bromide
SpectraBase Compound ID Els5cy89Tj7
InChI InChI=1S/C20H22NO2.BrH/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 RCOAOWOOICVKNN-UHFFFAOYSA-M
Mol Weight 388.31 g/mol
Molecular Formula C20H22BrNO2
Exact Mass 387.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nSCgNTbF85
Name N-[4-(Ethoxycarbonyl)butyl]phenanthridinium bromide
Alternate Name(s) 5-(5-Ethoxy-5-oxopentyl)phenanthridinium bromide 5-(5-phenanthridin-5-iumyl)pentanoic acid ethyl ester bromide 5-Phenanthridin-5-ium-5-ylvaleric acid ethyl ester bromide Ethyl 5-phenanthridin-5-ium-5-ylpentanoate bromide 5-(5-phenanthridin-5-iumyl)pentanoic acid ethyl ester;bromide Ethyl 5-phenanthridin-5-ium-5-ylpentanoate;bromide
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Formula C20H22BrNO2
InChI InChI=1S/C20H22NO2.BrH/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 RCOAOWOOICVKNN-UHFFFAOYSA-M
Molecular Weight 388.305 g/mol
SMILES [Br-].c12[n+](cc3c(c2cccc1)cccc3)CCCCC(=O)OCC
SPLASH splash10-004i-0900000000-3d2f6907b87f6d81a53b
Source of Spectrum KC-0-2626-2
Wiley ID 786706