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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[[4-(cyanomethyl)phenyl]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-[[[4-(cyanomethyl)phenyl]amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID JkuqpBQTr7v
InChI InChI=1S/C29H32ClN5O3/c1-19-5-10-23(17-25(19)30)35-26(21-12-15-34(16-13-21)28(37)38-29(2,3)4)24(18-32-35)27(36)33-22-8-6-20(7-9-22)11-14-31/h5-10,17-18,21H,11-13,15-16H2,1-4H3,(H,33,36)
InChIKey VBFBJSBIVDZERC-UHFFFAOYSA-N
Mol Weight 534.1 g/mol
Molecular Formula C29H32ClN5O3
Exact Mass 533.219368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FO23FtiDGbK
Name 1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[[4-(cyanomethyl)phenyl]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 533.219367607 u
Formula C29H32ClN5O3
InChI InChI=1S/C29H32ClN5O3/c1-19-5-10-23(17-25(19)30)35-26(21-12-15-34(16-13-21)28(37)38-29(2,3)4)24(18-32-35)27(36)33-22-8-6-20(7-9-22)11-14-31/h5-10,17-18,21H,11-13,15-16H2,1-4H3,(H,33,36)
InChIKey VBFBJSBIVDZERC-UHFFFAOYSA-N
Molecular Weight 534.060 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6715
Solvent DMSO-d6
Source Vendor ID: NMR/12718007