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piperidinium, 4-[4-[[[(2-chlorophenyl)methyl]amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID KFRZop2apyf
InChI InChI=1S/C24H27ClN4O.ClH/c1-16-7-8-20(13-17(16)2)29-23(18-9-11-26-12-10-18)21(15-28-29)24(30)27-14-19-5-3-4-6-22(19)25;/h3-8,13,15,18,26H,9-12,14H2,1-2H3,(H,27,30);1H
InChIKey WHHYAQQSHCVBNN-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 CbboSEB4V1q
Name piperidinium, 4-[4-[[[(2-chlorophenyl)methyl]amino]carbonyl]-1-(3,4-dimethylphenyl)-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/c1-16-7-8-20(13-17(16)2)29-23(18-9-11-26-12-10-18)21(15-28-29)24(30)27-14-19-5-3-4-6-22(19)25;/h3-8,13,15,18,26H,9-12,14H2,1-2H3,(H,27,30);1H
InChIKey WHHYAQQSHCVBNN-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_6659
Solvent DMSO-d6
Source Vendor ID: NMR/12709895