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1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-4-fluorophenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, 1,1-
SpectraBase Compound ID HzBFoOKXIF1
InChI InChI=1S/C26H27Cl2FN4O3/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)31-18-6-9-22(29)21(28)14-18/h4-9,14-16H,10-13H2,1-3H3,(H,31,34)
InChIKey KXEYNZJAUYQIHI-UHFFFAOYSA-N
Mol Weight 533.43 g/mol
Molecular Formula C26H27Cl2FN4O3
Exact Mass 532.144424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dqa0XBRQaMY
Name 1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-4-fluorophenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, 1,1-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.144424305 u
Formula C26H27Cl2FN4O3
InChI InChI=1S/C26H27Cl2FN4O3/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)31-18-6-9-22(29)21(28)14-18/h4-9,14-16H,10-13H2,1-3H3,(H,31,34)
InChIKey KXEYNZJAUYQIHI-UHFFFAOYSA-N
Molecular Weight 533.431 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5906
Solvent DMSO-d6
Source Vendor ID: NMR/12709332