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

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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(3-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID EYVYq7dFOx9
InChI InChI=1S/C27H30ClFN4O3/c1-17-8-9-21(15-23(17)28)33-24(18-10-12-32(13-11-18)26(35)36-27(2,3)4)22(16-30-33)25(34)31-20-7-5-6-19(29)14-20/h5-9,14-16,18H,10-13H2,1-4H3,(H,31,34)
InChIKey GXXHZCQXXGYIFN-UHFFFAOYSA-N
Mol Weight 513.01 g/mol
Molecular Formula C27H30ClFN4O3
Exact Mass 512.199047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eef960Ryupe
Name 1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-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 512.199046702 u
Formula C27H30ClFN4O3
InChI InChI=1S/C27H30ClFN4O3/c1-17-8-9-21(15-23(17)28)33-24(18-10-12-32(13-11-18)26(35)36-27(2,3)4)22(16-30-33)25(34)31-20-7-5-6-19(29)14-20/h5-9,14-16,18H,10-13H2,1-4H3,(H,31,34)
InChIKey GXXHZCQXXGYIFN-UHFFFAOYSA-N
Molecular Weight 513.013 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6766
Solvent DMSO-d6
Source Vendor ID: NMR/12718097