1-azoniabicyclo[2.2.2]octane, 3-(diphenylmethylene)-1-[2-(4-nitrophenyl)-2-oxoethyl]-, bromide

SpectraBase Compound ID	HEyN0SSJzQr
InChI	InChI=1S/C28H27N2O3.BrH/c31-27(22-11-13-25(14-12-22)29(32)33)20-30-17-15-21(16-18-30)26(19-30)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24;/h1-14,21H,15-20H2;1H/q+1;/p-1
InChIKey	TYKIGRUYAHYLSG-UHFFFAOYSA-M Google Search
Mol Weight	519.44 g/mol
Molecular Formula	C28H27BrN2O3
Exact Mass	518.120506 g/mol

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SpectraBase Spectrum ID	IaMdT4Whjb8
Name	1-azoniabicyclo[2.2.2]octane, 3-(diphenylmethylene)-1-[2-(4-nitrophenyl)-2-oxoethyl]-, bromide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H27N2O3.BrH/c31-27(22-11-13-25(14-12-22)29(32)33)20-30-17-15-21(16-18-30)26(19-30)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24;/h1-14,21H,15-20H2;1H/q+1;/p-1
InChIKey	TYKIGRUYAHYLSG-UHFFFAOYSA-M
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_5643
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: ZIOC-N1-6201; IOH_ID: IOH-012646