N-[6-(Ethoxycarbonyl)hexyl]phenanthridinium iodide

SpectraBase Compound ID	JuCcvbcLu8l
InChI	InChI=1S/C22H26NO2.HI/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	IDSJLWIEYGLZGS-UHFFFAOYSA-M Google Search
Mol Weight	463.36 g/mol
Molecular Formula	C22H26INO2
Exact Mass	463.100824 g/mol

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SpectraBase Spectrum ID	5KQsPMA5OGd
Name	N-[6-(Ethoxycarbonyl)hexyl]phenanthridinium iodide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H26INO2
InChI	InChI=1S/C22H26NO2.HI/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	IDSJLWIEYGLZGS-UHFFFAOYSA-M
Molecular Weight	463.359 g/mol
SMILES	[I-].c12[n+](cc3c(c2cccc1)cccc3)CCCCCCC(=O)OCC
SPLASH	splash10-004i-0900000000-d4fe6a41bb24312a77e5
Source of Spectrum	KC-0-2626-2
Synonyms	5-(7-ethoxy-7-oxoheptyl)phenanthridinium iodide 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester iodide 7-phenanthridin-5-ium-5-ylenanthic acid ethyl ester iodide ethyl 7-phenanthridin-5-ium-5-ylheptanoate iodide 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester;iodide ethyl 7-phenanthridin-5-ium-5-ylheptanoate;iodide
Wiley ID	786704