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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(3-fluoro-4-methylphenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester

View entire compound with spectra: 1 NMR

1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(3-fluoro-4-methylphenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID IWYDenMSQ8b
InChI InChI=1S/C28H32ClFN4O3/c1-17-7-9-21(15-23(17)29)34-25(19-10-12-33(13-11-19)27(36)37-28(3,4)5)22(16-31-34)26(35)32-20-8-6-18(2)24(30)14-20/h6-9,14-16,19H,10-13H2,1-5H3,(H,32,35)
InChIKey SJBPJUMBFQGPEQ-UHFFFAOYSA-N
Mol Weight 527.0 g/mol
Molecular Formula C28H32ClFN4O3
Exact Mass 526.214697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Coo1Ou5TmvL
Name 1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(3-fluoro-4-methylphenyl)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 526.214696766 u
Formula C28H32ClFN4O3
InChI InChI=1S/C28H32ClFN4O3/c1-17-7-9-21(15-23(17)29)34-25(19-10-12-33(13-11-19)27(36)37-28(3,4)5)22(16-31-34)26(35)32-20-8-6-18(2)24(30)14-20/h6-9,14-16,19H,10-13H2,1-5H3,(H,32,35)
InChIKey SJBPJUMBFQGPEQ-UHFFFAOYSA-N
Molecular Weight 527.040 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6711
Solvent DMSO-d6
Source Vendor ID: NMR/12718002