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piperidinium, 4-[4-[[(4-bromophenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID G6F57lFVzuT
InChI InChI=1S/C21H20BrClN4O.ClH/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14;/h1-8,13-14,24H,9-12H2,(H,26,28);1H
InChIKey BZWIABAQKPLYHH-UHFFFAOYSA-N
Mol Weight 496.24 g/mol
Molecular Formula C21H21BrCl2N4O
Exact Mass 494.02758 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5szbj4Tml05
Name piperidinium, 4-[4-[[(4-bromophenyl)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 494.027579711 u
Formula C21H21BrCl2N4O
InChI InChI=1S/C21H20BrClN4O.ClH/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14;/h1-8,13-14,24H,9-12H2,(H,26,28);1H
InChIKey BZWIABAQKPLYHH-UHFFFAOYSA-N
Molecular Weight 496.236 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6128
Solvent DMSO-d6
Source Vendor ID: NMR/12709651