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1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-(ethoxycarbonyl)-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-(ethoxycarbonyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID LxRF7Cwe4X3
InChI InChI=1S/C23H30ClN3O4/c1-6-30-21(28)18-14-25-27(17-8-7-15(2)19(24)13-17)20(18)16-9-11-26(12-10-16)22(29)31-23(3,4)5/h7-8,13-14,16H,6,9-12H2,1-5H3
InChIKey BVFPTYVCTRLKAA-UHFFFAOYSA-N
Mol Weight 447.96 g/mol
Molecular Formula C23H30ClN3O4
Exact Mass 447.192484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6n1AgtWCcON
Name 1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-(ethoxycarbonyl)-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 447.192484154 u
Formula C23H30ClN3O4
InChI InChI=1S/C23H30ClN3O4/c1-6-30-21(28)18-14-25-27(17-8-7-15(2)19(24)13-17)20(18)16-9-11-26(12-10-16)22(29)31-23(3,4)5/h7-8,13-14,16H,6,9-12H2,1-5H3
InChIKey BVFPTYVCTRLKAA-UHFFFAOYSA-N
Molecular Weight 447.963 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6667
Solvent DMSO-d6
Source Vendor ID: NMR/12709909