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3-(benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane bromide
SpectraBase Compound ID 81vc9RvjquL
InChI InChI=1S/C22H23N2O5.BrH/c25-20(16-6-8-19(9-7-16)23(27)28)14-24-12-10-17(11-13-24)21(15-24)29-22(26)18-4-2-1-3-5-18;/h1-9,17,21H,10-15H2;1H/q+1;/p-1
InChIKey NPHQBPBHWGRVMH-UHFFFAOYSA-M
Mol Weight 475.34 g/mol
Molecular Formula C22H23BrN2O5
Exact Mass 474.079035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7mD9wEpuuVG
Name 3-(benzoyloxy)-1-[2-(4-nitrophenyl)-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/C22H23N2O5.BrH/c25-20(16-6-8-19(9-7-16)23(27)28)14-24-12-10-17(11-13-24)21(15-24)29-22(26)18-4-2-1-3-5-18;/h1-9,17,21H,10-15H2;1H/q+1;/p-1
InChIKey NPHQBPBHWGRVMH-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14924
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: C26408; Labnumber: KRAV-0380; SBI_ID: SBI-014927
Temperature 308 °C