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piperidinium, 4-[1-(4-chlorophenyl)-4-[[(2-ethyl-6-methylphenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID K5DYKtBQebI
InChI InChI=1S/C24H27ClN4O.ClH/c1-3-17-6-4-5-16(2)22(17)28-24(30)21-15-27-29(20-9-7-19(25)8-10-20)23(21)18-11-13-26-14-12-18;/h4-10,15,18,26H,3,11-14H2,1-2H3,(H,28,30);1H
InChIKey BQBGZCUHDVMQAG-UHFFFAOYSA-N
Mol Weight 459.42 g/mol
Molecular Formula C24H28Cl2N4O
Exact Mass 458.164017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmFuIPFtS76
Name piperidinium, 4-[1-(4-chlorophenyl)-4-[[(2-ethyl-6-methylphenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 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 458.164016937 u
Formula C24H28Cl2N4O
InChI InChI=1S/C24H27ClN4O.ClH/c1-3-17-6-4-5-16(2)22(17)28-24(30)21-15-27-29(20-9-7-19(25)8-10-20)23(21)18-11-13-26-14-12-18;/h4-10,15,18,26H,3,11-14H2,1-2H3,(H,28,30);1H
InChIKey BQBGZCUHDVMQAG-UHFFFAOYSA-N
Molecular Weight 459.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6664
Solvent DMSO-d6
Source Vendor ID: NMR/12709904