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3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane bromide
SpectraBase Compound ID CGgcyM1nO4n
InChI InChI=1S/C22H23BrNO3.BrH/c23-19-8-6-16(7-9-19)20(25)14-24-12-10-17(11-13-24)21(15-24)27-22(26)18-4-2-1-3-5-18;/h1-9,17,21H,10-15H2;1H/q+1;/p-1
InChIKey WRYCOMFWZUJVPM-UHFFFAOYSA-M
Mol Weight 509.24 g/mol
Molecular Formula C22H23Br2NO3
Exact Mass 507.00447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYcBoiW4Eow
Name 3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane 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/C22H23BrNO3.BrH/c23-19-8-6-16(7-9-19)20(25)14-24-12-10-17(11-13-24)21(15-24)27-22(26)18-4-2-1-3-5-18;/h1-9,17,21H,10-15H2;1H/q+1;/p-1
InChIKey WRYCOMFWZUJVPM-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14920
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: C26401; Labnumber: KRAV-0171; SBI_ID: SBI-014923
Temperature 308 °C