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1-[(4-bromophenyl)[2-(4-cyclohexylphenyl)-2-oxoethyl]amino]cycloheptan-1-ylium bromide

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1-[(4-bromophenyl)[2-(4-cyclohexylphenyl)-2-oxoethyl]amino]cycloheptan-1-ylium bromide
SpectraBase Compound ID LCCE8TT9WHK
InChI InChI=1S/C26H31BrN2O.BrH/c27-23-14-16-24(17-15-23)29(26-9-5-2-6-18-28-26)19-25(30)22-12-10-21(11-13-22)20-7-3-1-4-8-20;/h10-17,20H,1-9,18-19H2;1H
InChIKey DQYAWQXOTCENPV-UHFFFAOYSA-N
Mol Weight 548.4 g/mol
Molecular Formula C26H32Br2N2O
Exact Mass 546.08814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 91Nf6TfFEp5
Name 1-[(4-bromophenyl)[2-(4-cyclohexylphenyl)-2-oxoethyl]amino]cycloheptan-1-ylium 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 546.088139657 u
Formula C26H32Br2N2O
InChI InChI=1S/C26H31BrN2O.BrH/c27-23-14-16-24(17-15-23)29(26-9-5-2-6-18-28-26)19-25(30)22-12-10-21(11-13-22)20-7-3-1-4-8-20;/h10-17,20H,1-9,18-19H2;1H
InChIKey DQYAWQXOTCENPV-UHFFFAOYSA-N
Molecular Weight 548.363 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18236
Solvent DMSO-d6
Source Vendor ID: NMR/10321197; Lab Info: DEM; Lab Number: DEM-0000345