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piperidinium, 4-[1-(4-chlorophenyl)-4-[[(4-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID 6TJEJsHvjmA
InChI InChI=1S/C21H20ClFN4O.ClH/c22-15-1-7-18(8-2-15)27-20(14-9-11-24-12-10-14)19(13-25-27)21(28)26-17-5-3-16(23)4-6-17;/h1-8,13-14,24H,9-12H2,(H,26,28);1H
InChIKey ARJVTIZMTCTDIB-UHFFFAOYSA-N
Mol Weight 435.33 g/mol
Molecular Formula C21H21Cl2FN4O
Exact Mass 434.107645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID NUH7xutZ8o
Name piperidinium, 4-[1-(4-chlorophenyl)-4-[[(4-fluorophenyl)amino]carbonyl]-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 434.107644874 u
Formula C21H21Cl2FN4O
InChI InChI=1S/C21H20ClFN4O.ClH/c22-15-1-7-18(8-2-15)27-20(14-9-11-24-12-10-14)19(13-25-27)21(28)26-17-5-3-16(23)4-6-17;/h1-8,13-14,24H,9-12H2,(H,26,28);1H
InChIKey ARJVTIZMTCTDIB-UHFFFAOYSA-N
Molecular Weight 435.330 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5926
Solvent DMSO-d6
Source Vendor ID: NMR/12709355