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1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-2-methylphenyl)amino]carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, 1,1-
SpectraBase Compound ID DdScLoRRQGz
InChI InChI=1S/C27H30Cl2N4O3/c1-17-22(29)6-5-7-23(17)31-25(34)21-16-30-33(20-10-8-19(28)9-11-20)24(21)18-12-14-32(15-13-18)26(35)36-27(2,3)4/h5-11,16,18H,12-15H2,1-4H3,(H,31,34)
InChIKey AIWMRQHFFXKEIZ-UHFFFAOYSA-N
Mol Weight 529.47 g/mol
Molecular Formula C27H30Cl2N4O3
Exact Mass 528.169496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10vtQly1Jr8
Name 1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-2-methylphenyl)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 528.169496239 u
Formula C27H30Cl2N4O3
InChI InChI=1S/C27H30Cl2N4O3/c1-17-22(29)6-5-7-23(17)31-25(34)21-16-30-33(20-10-8-19(28)9-11-20)24(21)18-12-14-32(15-13-18)26(35)36-27(2,3)4/h5-11,16,18H,12-15H2,1-4H3,(H,31,34)
InChIKey AIWMRQHFFXKEIZ-UHFFFAOYSA-N
Molecular Weight 529.468 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6003
Solvent DMSO-d6
Source Vendor ID: NMR/12709460