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N-[3-(Methoxycarbonyl)propyl]phenanthridinium chloride
SpectraBase Compound ID 76M3SVZBD1a
InChI InChI=1S/C18H18NO2.ClH/c1-21-18(20)11-6-12-19-13-14-7-2-3-8-15(14)16-9-4-5-10-17(16)19;/h2-5,7-10,13H,6,11-12H2,1H3;1H/q+1;/p-1
InChIKey INPAZCVKCUDNOQ-UHFFFAOYSA-M
Mol Weight 315.8 g/mol
Molecular Formula C18H18ClNO2
Exact Mass 315.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aub7Nvg14yr
Name N-[3-(Methoxycarbonyl)propyl]phenanthridinium chloride
Alternate Name(s) 4-(5-phenanthridin-5-iumyl)butanoic acid methyl ester chloride 4-Phenanthridin-5-ium-5-ylbutyric acid methyl ester chloride 5-(4-Methoxy-4-oxobutyl)phenanthridinium chloride Methyl 4-phenanthridin-5-ium-5-ylbutanoate chloride 4-(5-phenanthridin-5-iumyl)butanoic acid methyl ester;chloride Methyl 4-phenanthridin-5-ium-5-ylbutanoate;chloride
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Formula C18H18ClNO2
InChI InChI=1S/C18H18NO2.ClH/c1-21-18(20)11-6-12-19-13-14-7-2-3-8-15(14)16-9-4-5-10-17(16)19;/h2-5,7-10,13H,6,11-12H2,1H3;1H/q+1;/p-1
InChIKey INPAZCVKCUDNOQ-UHFFFAOYSA-M
Molecular Weight 315.800 g/mol
SMILES [Cl-].c12[n+](cc3c(c2cccc1)cccc3)CCCC(=O)OC
SPLASH splash10-001l-0920000000-3a51d2ca874e0817e982
Source of Spectrum KC-0-2627-3
Wiley ID 786702