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1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(2,4-difluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester

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1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(2,4-difluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID JHZAQgmVbOT
InChI InChI=1S/C26H27ClF2N4O3/c1-26(2,3)36-25(35)32-12-10-16(11-13-32)23-20(15-30-33(23)19-7-4-17(27)5-8-19)24(34)31-22-9-6-18(28)14-21(22)29/h4-9,14-16H,10-13H2,1-3H3,(H,31,34)
InChIKey FWAUSDWKAVCJND-UHFFFAOYSA-N
Mol Weight 516.98 g/mol
Molecular Formula C26H27ClF2N4O3
Exact Mass 516.173975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 499Mtxpbset
Name 1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(2,4-difluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.173974768 u
Formula C26H27ClF2N4O3
InChI InChI=1S/C26H27ClF2N4O3/c1-26(2,3)36-25(35)32-12-10-16(11-13-32)23-20(15-30-33(23)19-7-4-17(27)5-8-19)24(34)31-22-9-6-18(28)14-21(22)29/h4-9,14-16H,10-13H2,1-3H3,(H,31,34)
InChIKey FWAUSDWKAVCJND-UHFFFAOYSA-N
Molecular Weight 516.977 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5917
Solvent DMSO-d6
Source Vendor ID: NMR/12709345