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1-piperidinecarboxylic acid, 4-[4-[[[(3-chlorophenyl)methyl]amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, 1,
SpectraBase Compound ID FwMPLjkzVaL
InChI InChI=1S/C29H35ClN4O3/c1-19-9-10-24(15-20(19)2)34-26(22-11-13-33(14-12-22)28(36)37-29(3,4)5)25(18-32-34)27(35)31-17-21-7-6-8-23(30)16-21/h6-10,15-16,18,22H,11-14,17H2,1-5H3,(H,31,35)
InChIKey ITBOKSVZBZVYOX-UHFFFAOYSA-N
Mol Weight 523.1 g/mol
Molecular Formula C29H35ClN4O3
Exact Mass 522.239769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID tEnEJ9rKiQ
Name 1-piperidinecarboxylic acid, 4-[4-[[[(3-chlorophenyl)methyl]amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, 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 522.239768700 u
Formula C29H35ClN4O3
InChI InChI=1S/C29H35ClN4O3/c1-19-9-10-24(15-20(19)2)34-26(22-11-13-33(14-12-22)28(36)37-29(3,4)5)25(18-32-34)27(35)31-17-21-7-6-8-23(30)16-21/h6-10,15-16,18,22H,11-14,17H2,1-5H3,(H,31,35)
InChIKey ITBOKSVZBZVYOX-UHFFFAOYSA-N
Molecular Weight 523.077 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5302
Solvent DMSO-d6
Source Vendor ID: NMR/12708019