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piperidinium, 4-[4-[[(3-acetylphenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID FMCr4qBHjDD
InChI InChI=1S/C23H23ClN4O2.ClH/c1-15(29)17-3-2-4-19(13-17)27-23(30)21-14-26-28(20-7-5-18(24)6-8-20)22(21)16-9-11-25-12-10-16;/h2-8,13-14,16,25H,9-12H2,1H3,(H,27,30);1H
InChIKey XIAOSTUBKDUPTO-UHFFFAOYSA-N
Mol Weight 459.38 g/mol
Molecular Formula C23H24Cl2N4O2
Exact Mass 458.127631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2354p8D8Zym
Name piperidinium, 4-[4-[[(3-acetylphenyl)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 458.127631427 u
Formula C23H24Cl2N4O2
InChI InChI=1S/C23H23ClN4O2.ClH/c1-15(29)17-3-2-4-19(13-17)27-23(30)21-14-26-28(20-7-5-18(24)6-8-20)22(21)16-9-11-25-12-10-16;/h2-8,13-14,16,25H,9-12H2,1H3,(H,27,30);1H
InChIKey XIAOSTUBKDUPTO-UHFFFAOYSA-N
Molecular Weight 459.377 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6126
Solvent DMSO-d6
Source Vendor ID: NMR/12709649