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piperidinium, 4-[4-[[(2-ethylphenyl)amino]carbonyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID EPlWCLfySq5
InChI InChI=1S/C23H25FN4O.ClH/c1-2-16-5-3-4-6-21(16)27-23(29)20-15-26-28(19-9-7-18(24)8-10-19)22(20)17-11-13-25-14-12-17;/h3-10,15,17,25H,2,11-14H2,1H3,(H,27,29);1H
InChIKey SJEZMDCZYYSYFO-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C23H26ClFN4O
Exact Mass 428.177917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NTj4A0l77K
Name piperidinium, 4-[4-[[(2-ethylphenyl)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 428.177917335 u
Formula C23H26ClFN4O
InChI InChI=1S/C23H25FN4O.ClH/c1-2-16-5-3-4-6-21(16)27-23(29)20-15-26-28(19-9-7-18(24)8-10-19)22(20)17-11-13-25-14-12-17;/h3-10,15,17,25H,2,11-14H2,1H3,(H,27,29);1H
InChIKey SJEZMDCZYYSYFO-UHFFFAOYSA-N
Molecular Weight 428.939 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5363
Solvent DMSO-d6
Source Vendor ID: NMR/12708183