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1-azoniabicyclo[2.2.2]octane, 1-[(4-bromophenyl)acetyl]-3-(hydroxydiphenylmethyl)-, bromide

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1-azoniabicyclo[2.2.2]octane, 1-[(4-bromophenyl)acetyl]-3-(hydroxydiphenylmethyl)-, bromide
SpectraBase Compound ID BWIsSXxWTS2
InChI InChI=1S/C28H29BrNO2.BrH/c29-25-13-11-21(12-14-25)19-27(31)30-17-15-22(16-18-30)26(20-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24;/h1-14,22,26,32H,15-20H2;1H/q+1;/p-1
InChIKey QUBPFTAJLGXFTO-UHFFFAOYSA-M
Mol Weight 571.35 g/mol
Molecular Formula C28H29Br2NO2
Exact Mass 569.056505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IcaCiYP6jXW
Name 1-azoniabicyclo[2.2.2]octane, 1-[(4-bromophenyl)acetyl]-3-(hydroxydiphenylmethyl)-, bromide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.056505176 u
Formula C28H29Br2NO2
InChI InChI=1S/C28H29BrNO2.BrH/c29-25-13-11-21(12-14-25)19-27(31)30-17-15-22(16-18-30)26(20-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24;/h1-14,22,26,32H,15-20H2;1H/q+1;/p-1
InChIKey QUBPFTAJLGXFTO-UHFFFAOYSA-M
Molecular Weight 571.353 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12480
Solvent DMSO-d6
Source Vendor ID: NMR/10272412; Lab Info: ALE; Lab Number: ALE-NA00443