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piperidinium, 4-[4-[[(5-chloro-2-methylphenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID IPhyNWpEsZX
InChI InChI=1S/C22H22Cl2N4O.ClH/c1-14-2-3-17(24)12-20(14)27-22(29)19-13-26-28(18-6-4-16(23)5-7-18)21(19)15-8-10-25-11-9-15;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H
InChIKey AQNCJGBTDAIYTO-UHFFFAOYSA-N
Mol Weight 465.81 g/mol
Molecular Formula C22H23Cl3N4O
Exact Mass 464.093744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8wcsL849KH
Name piperidinium, 4-[4-[[(5-chloro-2-methylphenyl)amino]carbonyl]-1-(4-chlorophenyl)-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 464.093744476 u
Formula C22H23Cl3N4O
InChI InChI=1S/C22H22Cl2N4O.ClH/c1-14-2-3-17(24)12-20(14)27-22(29)19-13-26-28(18-6-4-16(23)5-7-18)21(19)15-8-10-25-11-9-15;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H
InChIKey AQNCJGBTDAIYTO-UHFFFAOYSA-N
Molecular Weight 465.812 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6663
Solvent DMSO-d6
Source Vendor ID: NMR/12709902