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piperidinium, 4-[4-[(1,3-benzodioxol-5-ylamino)carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, chloride
SpectraBase Compound ID 6NaRQWMiI1h
InChI InChI=1S/C22H21ClN4O3.ClH/c23-15-1-4-17(5-2-15)27-21(14-7-9-24-10-8-14)18(12-25-27)22(28)26-16-3-6-19-20(11-16)30-13-29-19;/h1-6,11-12,14,24H,7-10,13H2,(H,26,28);1H
InChIKey YOEJFJVOZYPMKE-UHFFFAOYSA-N
Mol Weight 461.35 g/mol
Molecular Formula C22H22Cl2N4O3
Exact Mass 460.106896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FxIwUGNvaOq
Name piperidinium, 4-[4-[(1,3-benzodioxol-5-ylamino)carbonyl]-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.106895981 u
Formula C22H22Cl2N4O3
InChI InChI=1S/C22H21ClN4O3.ClH/c23-15-1-4-17(5-2-15)27-21(14-7-9-24-10-8-14)18(12-25-27)22(28)26-16-3-6-19-20(11-16)30-13-29-19;/h1-6,11-12,14,24H,7-10,13H2,(H,26,28);1H
InChIKey YOEJFJVOZYPMKE-UHFFFAOYSA-N
Molecular Weight 461.349 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6127
Solvent DMSO-d6
Source Vendor ID: NMR/12709650