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piperidinium, 4-[4-[[(3,4-dimethylphenyl)amino]carbonyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID ATz2wy13P6Z
InChI InChI=1S/C23H25FN4O.ClH/c1-15-3-6-19(13-16(15)2)27-23(29)21-14-26-28(20-7-4-18(24)5-8-20)22(21)17-9-11-25-12-10-17;/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29);1H
InChIKey YMHSSCOYKGDEIA-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 6OxlpsCqTpQ
Name piperidinium, 4-[4-[[(3,4-dimethylphenyl)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/c1-15-3-6-19(13-16(15)2)27-23(29)21-14-26-28(20-7-4-18(24)5-8-20)22(21)17-9-11-25-12-10-17;/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29);1H
InChIKey YMHSSCOYKGDEIA-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_5367
Solvent DMSO-d6
Source Vendor ID: NMR/12708187