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piperidinium, 4-[4-[[(4-chlorophenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID D6O8FH70r9S
InChI InChI=1S/C23H25ClN4O.ClH/c1-15-3-8-20(13-16(15)2)28-22(17-9-11-25-12-10-17)21(14-26-28)23(29)27-19-6-4-18(24)5-7-19;/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29);1H
InChIKey PQHZXTJHLQKISL-UHFFFAOYSA-N
Mol Weight 445.39 g/mol
Molecular Formula C23H26Cl2N4O
Exact Mass 444.148367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HAeIYT3U0Jp
Name piperidinium, 4-[4-[[(4-chlorophenyl)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 444.148366872 u
Formula C23H26Cl2N4O
InChI InChI=1S/C23H25ClN4O.ClH/c1-15-3-8-20(13-16(15)2)28-22(17-9-11-25-12-10-17)21(14-26-28)23(29)27-19-6-4-18(24)5-7-19;/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29);1H
InChIKey PQHZXTJHLQKISL-UHFFFAOYSA-N
Molecular Weight 445.394 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6021
Solvent DMSO-d6
Source Vendor ID: NMR/12709481