1-azoniabicyclo[2.2.2]octane, 3-(hydroxydiphenylmethyl)-1-[(2-nitrophenyl)methyl]-, chloride

SpectraBase Compound ID	KlVrvoFWRy6
InChI	InChI=1S/C27H29N2O3.ClH/c30-27(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-20-29(17-15-21(25)16-18-29)19-22-9-7-8-14-26(22)28(31)32;/h1-14,21,25,30H,15-20H2;1H/q+1;/p-1
InChIKey	NYKTXKYNWLUKOF-UHFFFAOYSA-M Google Search
Mol Weight	464.99 g/mol
Molecular Formula	C27H29ClN2O3
Exact Mass	464.18667 g/mol

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SpectraBase Spectrum ID	5JXk59cjx9b
Name	1-azoniabicyclo[2.2.2]octane, 3-(hydroxydiphenylmethyl)-1-[(2-nitrophenyl)methyl]-, chloride
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	464.186670499 u
Formula	C27H29ClN2O3
InChI	InChI=1S/C27H29N2O3.ClH/c30-27(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-20-29(17-15-21(25)16-18-29)19-22-9-7-8-14-26(22)28(31)32;/h1-14,21,25,30H,15-20H2;1H/q+1;/p-1
InChIKey	NYKTXKYNWLUKOF-UHFFFAOYSA-M
Molecular Weight	464.993 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12956
Solvent	DMSO-d6
Source	Vendor ID: NMR/10270391; Lab Info: ALE; Lab Number: ALE-NA00446