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piperidinium, 4-[4-[[(3,5-dichlorophenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID IggO9U7jOtu
InChI InChI=1S/C23H24Cl2N4O.ClH/c1-14-3-4-20(9-15(14)2)29-22(16-5-7-26-8-6-16)21(13-27-29)23(30)28-19-11-17(24)10-18(25)12-19;/h3-4,9-13,16,26H,5-8H2,1-2H3,(H,28,30);1H
InChIKey FXKYHBQTBXFPSE-UHFFFAOYSA-N
Mol Weight 479.84 g/mol
Molecular Formula C23H25Cl3N4O
Exact Mass 478.109395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lx1OJwVtnlU
Name piperidinium, 4-[4-[[(3,5-dichlorophenyl)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 478.109394540 u
Formula C23H25Cl3N4O
InChI InChI=1S/C23H24Cl2N4O.ClH/c1-14-3-4-20(9-15(14)2)29-22(16-5-7-26-8-6-16)21(13-27-29)23(30)28-19-11-17(24)10-18(25)12-19;/h3-4,9-13,16,26H,5-8H2,1-2H3,(H,28,30);1H
InChIKey FXKYHBQTBXFPSE-UHFFFAOYSA-N
Molecular Weight 479.839 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5277
Solvent DMSO-d6
Source Vendor ID: NMR/12708315
Temperature 23.85 °C