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N-[7-(Methoxycarbonyl)heptyl]phenanthridinium chloride
SpectraBase Compound ID 1O2nReE19n3
InChI InChI=1S/C22H26NO2.ClH/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 BLXWYBIZBBRRFE-UHFFFAOYSA-M
Mol Weight 371.91 g/mol
Molecular Formula C22H26ClNO2
Exact Mass 371.165207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmVSvjVI5qu
Name N-[7-(Methoxycarbonyl)heptyl]phenanthridinium chloride
Alternate Name(s) 5-(8-Methoxy-8-oxooctyl)phenanthridinium chloride 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester chloride 8-Phenanthridin-5-ium-5-ylcaprylic acid methyl ester chloride Methyl 8-phenanthridin-5-ium-5-yloctanoate chloride 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester;chloride Methyl 8-phenanthridin-5-ium-5-yloctanoate;chloride
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Formula C22H26ClNO2
InChI InChI=1S/C22H26NO2.ClH/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 BLXWYBIZBBRRFE-UHFFFAOYSA-M
Molecular Weight 371.908 g/mol
SMILES [Cl-].c12[n+](cc3c(c2cccc1)cccc3)CCCCCCCC(=O)OC
SPLASH splash10-000f-0904000000-659bcf58a0b62a49aa6a
Source of Spectrum KC-0-2627-3
Wiley ID 786698