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1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester

View entire compound with spectra: 1 NMR

1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID J4q8bFtnsWl
InChI InChI=1S/C26H28ClFN4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)23-22(24(33)30-20-6-4-5-19(28)15-20)16-29-32(23)21-9-7-18(27)8-10-21/h4-10,15-17H,11-14H2,1-3H3,(H,30,33)
InChIKey BPBHALDSVCJSTJ-UHFFFAOYSA-N
Mol Weight 498.99 g/mol
Molecular Formula C26H28ClFN4O3
Exact Mass 498.183397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FK9ilj2YJNv
Name 1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3-fluorophenyl)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 498.183396638 u
Formula C26H28ClFN4O3
InChI InChI=1S/C26H28ClFN4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)23-22(24(33)30-20-6-4-5-19(28)15-20)16-29-32(23)21-9-7-18(27)8-10-21/h4-10,15-17H,11-14H2,1-3H3,(H,30,33)
InChIKey BPBHALDSVCJSTJ-UHFFFAOYSA-N
Molecular Weight 498.986 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5908
Solvent DMSO-d6
Source Vendor ID: NMR/12709335