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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(2,5-difluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester

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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(2,5-difluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID 2PTvh3GAK7R
InChI InChI=1S/C27H29ClF2N4O3/c1-16-5-7-19(14-21(16)28)34-24(17-9-11-33(12-10-17)26(36)37-27(2,3)4)20(15-31-34)25(35)32-23-13-18(29)6-8-22(23)30/h5-8,13-15,17H,9-12H2,1-4H3,(H,32,35)
InChIKey JNUYQGGTWOXWLV-UHFFFAOYSA-N
Mol Weight 531.0 g/mol
Molecular Formula C27H29ClF2N4O3
Exact Mass 530.189625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EvDiPBhE61v
Name 1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(2,5-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 530.189624833 u
Formula C27H29ClF2N4O3
InChI InChI=1S/C27H29ClF2N4O3/c1-16-5-7-19(14-21(16)28)34-24(17-9-11-33(12-10-17)26(36)37-27(2,3)4)20(15-31-34)25(35)32-23-13-18(29)6-8-22(23)30/h5-8,13-15,17H,9-12H2,1-4H3,(H,32,35)
InChIKey JNUYQGGTWOXWLV-UHFFFAOYSA-N
Molecular Weight 531.004 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6769
Solvent DMSO-d6
Source Vendor ID: NMR/12718100