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N-[6-(Ethoxycarbonyl)hexyl]phenanthridinium chloride
SpectraBase Compound ID 8xWobLMwCdH
InChI InChI=1S/C22H26NO2.ClH/c1-2-25-22(24)15-5-3-4-10-16-23-17-18-11-6-7-12-19(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 VPNOTXVJEPFKHS-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 5i748hge3M3
Name N-[6-(Ethoxycarbonyl)hexyl]phenanthridinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClNO2
InChI InChI=1S/C22H26NO2.ClH/c1-2-25-22(24)15-5-3-4-10-16-23-17-18-11-6-7-12-19(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 VPNOTXVJEPFKHS-UHFFFAOYSA-M
Molecular Weight 371.908 g/mol
SMILES [Cl-].c12[n+](cc3c(c2cccc1)cccc3)CCCCCCC(=O)OCC
SPLASH splash10-004i-0900000000-18a490f9310d6b29995f
Source of Spectrum KC-0-2627-3
Synonyms 5-(7-Ethoxy-7-oxoheptyl)phenanthridinium chloride 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester chloride 7-Phenanthridin-5-ium-5-ylenanthic acid ethyl ester chloride Ethyl 7-phenanthridin-5-ium-5-ylheptanoate chloride 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester;chloride Ethyl 7-phenanthridin-5-ium-5-ylheptanoate;chloride
Wiley ID 786699