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

SpectraBase Compound ID	D9gvM3g6xQq
InChI	InChI=1S/C24H28N2O3.BrH/c1-3-29-24(28)21-10-6-5-9-20(21)17-22(26-16-8-4-7-15-25-26)23(27)19-13-11-18(2)12-14-19;/h5-6,9-15,22H,3-4,7-8,16-17H2,1-2H3;1H
InChIKey	HBVZLSIUCZRXJI-UHFFFAOYSA-N Google Search
Mol Weight	473.41 g/mol
Molecular Formula	C24H29BrN2O3
Exact Mass	472.136156 g/mol

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SpectraBase Spectrum ID	CHLc9dybZ0c
Name	2-[(4-Methylbenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H29BrN2O3
InChI	InChI=1S/C24H28N2O3.BrH/c1-3-29-24(28)21-10-6-5-9-20(21)17-22(26-16-8-4-7-15-25-26)23(27)19-13-11-18(2)12-14-19;/h5-6,9-15,22H,3-4,7-8,16-17H2,1-2H3;1H
InChIKey	HBVZLSIUCZRXJI-UHFFFAOYSA-N
Molecular Weight	473.411 g/mol
SMILES	[Br-].[NH+]1=CCCCCN1C(C(c1ccc(C)cc1)=O)Cc1c(C(=O)OCC)cccc1
SPLASH	splash10-014i-0982000000-3b80aebb1973c01b72c8
Source of Spectrum	SO-0-527-7
Synonyms	2-[1-[2-(ethoxycarbonyl)benzyl]-2-(4-methylphenyl)-2-oxoethyl]-3,4,5,6-tetrahydro-2H-1,2-diazepin-1-ium bromide
Wiley ID	879057