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piperidinium, 4-[4-[[(2,4-dichlorophenyl)amino]carbonyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID B2GGhEr6IXu
InChI InChI=1S/C21H19Cl2FN4O.ClH/c22-14-1-6-19(18(23)11-14)27-21(29)17-12-26-28(16-4-2-15(24)3-5-16)20(17)13-7-9-25-10-8-13;/h1-6,11-13,25H,7-10H2,(H,27,29);1H
InChIKey BAGYSCKARROQBA-UHFFFAOYSA-N
Mol Weight 469.78 g/mol
Molecular Formula C21H20Cl3FN4O
Exact Mass 468.068673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dlcu31yy1NL
Name piperidinium, 4-[4-[[(2,4-dichlorophenyl)amino]carbonyl]-1-(4-fluorophenyl)-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 468.068672542 u
Formula C21H20Cl3FN4O
InChI InChI=1S/C21H19Cl2FN4O.ClH/c22-14-1-6-19(18(23)11-14)27-21(29)17-12-26-28(16-4-2-15(24)3-5-16)20(17)13-7-9-25-10-8-13;/h1-6,11-13,25H,7-10H2,(H,27,29);1H
InChIKey BAGYSCKARROQBA-UHFFFAOYSA-N
Molecular Weight 469.775 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5378
Solvent DMSO-d6
Source Vendor ID: NMR/12708198