1-[(2,3,6-Trimethoxy-10-phenanthryl)methyl]pyridinium Bromide

SpectraBase Compound ID	8sFlLATfiX2
InChI	InChI=1S/C23H22NO3.BrH/c1-25-18-8-7-16-11-17(15-24-9-5-4-6-10-24)20-13-22(26-2)23(27-3)14-21(20)19(16)12-18;/h4-14H,15H2,1-3H3;1H/q+1;/p-1
InChIKey	XMDJYMDEYSYIEK-UHFFFAOYSA-M Google Search
Mol Weight	440.34 g/mol
Molecular Formula	C23H22BrNO3
Exact Mass	439.078307 g/mol

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SpectraBase Spectrum ID	4xFPBdM7qzb
Name	1-[(2,3,6-Trimethoxy-10-phenanthryl)methyl]pyridinium Bromide
Alternate Name(s)	1-[(3,6,7-trimethoxy-9-phenanthrenyl)methyl]pyridin-1-ium;bromide 1-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]pyridin-1-ium;bromide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H22BrNO3
InChI	InChI=1S/C23H22NO3.BrH/c1-25-18-8-7-16-11-17(15-24-9-5-4-6-10-24)20-13-22(26-2)23(27-3)14-21(20)19(16)12-18;/h4-14H,15H2,1-3H3;1H/q+1;/p-1
InChIKey	XMDJYMDEYSYIEK-UHFFFAOYSA-M
Molecular Weight	440.337 g/mol
SMILES	[Br-].c12c(c(C[n+]3ccccc3)cc3c1cc(cc3)OC)cc(c(c2)OC)OC
SPLASH	splash10-001i-0090000000-73543d7d8adae0c1d557
Source of Spectrum	U1-2009-1177-27
Wiley ID	1662687