2-[(4-Methoxybenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide

SpectraBase Compound ID	FVSzugGKfS3
InChI	InChI=1S/C24H28N2O4.BrH/c1-3-30-24(28)21-10-6-5-9-19(21)17-22(26-16-8-4-7-15-25-26)23(27)18-11-13-20(29-2)14-12-18;/h5-6,9-15,22H,3-4,7-8,16-17H2,1-2H3;1H
InChIKey	WQPIKMMAOMETQT-UHFFFAOYSA-N Google Search
Mol Weight	489.41 g/mol
Molecular Formula	C24H29BrN2O4
Exact Mass	488.13107 g/mol

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SpectraBase Spectrum ID	EXWkLaJi1g9
Name	2-[(4-Methoxybenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide
Alternate Name(s)	2-[1-[2-(ethoxycarbonyl)benzyl]-2-(4-methoxyphenyl)-2-oxoethyl]-3,4,5,6-tetrahydro-2H-1,2-diazepin-1-ium bromide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H29BrN2O4
InChI	InChI=1S/C24H28N2O4.BrH/c1-3-30-24(28)21-10-6-5-9-19(21)17-22(26-16-8-4-7-15-25-26)23(27)18-11-13-20(29-2)14-12-18;/h5-6,9-15,22H,3-4,7-8,16-17H2,1-2H3;1H
InChIKey	WQPIKMMAOMETQT-UHFFFAOYSA-N
Molecular Weight	489.410 g/mol
SMILES	[Br-].[NH+]1=CCCCCN1C(C(c1ccc(OC)cc1)=O)Cc1c(C(=O)OCC)cccc1
SPLASH	splash10-0079-0971100000-37a739183feab0a3ec81
Source of Spectrum	SO-0-527-7
Wiley ID	879056