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piperidinium, 4-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID 3DAxxhWQUG3
InChI InChI=1S/C24H27ClN4O.ClH/c1-15-5-7-20(12-17(15)3)29-23(18-8-10-26-11-9-18)21(14-27-29)24(30)28-19-6-4-16(2)22(25)13-19;/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30);1H
InChIKey QLSGTEJVHIMJAA-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 812wCd5qe7O
Name piperidinium, 4-[4-[[(3-chloro-4-methylphenyl)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/c1-15-5-7-20(12-17(15)3)29-23(18-8-10-26-11-9-18)21(14-27-29)24(30)28-19-6-4-16(2)22(25)13-19;/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30);1H
InChIKey QLSGTEJVHIMJAA-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_5408
Solvent DMSO-d6
Source Vendor ID: NMR/12708356