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1-benzyl-4-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-ium
SpectraBase Compound ID 4qeigFQdKTq
InChI InChI=1S/C22H23N5O3/c28-22(25-14-12-24(13-15-25)16-18-4-2-1-3-5-18)20-8-6-19(7-9-20)17-26-11-10-21(23-26)27(29)30/h1-11H,12-17H2/p+1
InChIKey MZGXDQUNEIZAOD-UHFFFAOYSA-O
Mol Weight 406.47 g/mol
Molecular Formula C22H24N5O3
Exact Mass 406.187915 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Khl47zAZlQJ
Name 1-benzyl-4-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-ium
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H23N5O3/c28-22(25-14-12-24(13-15-25)16-18-4-2-1-3-5-18)20-8-6-19(7-9-20)17-26-11-10-21(23-26)27(29)30/h1-11H,12-17H2/p+1
InChIKey MZGXDQUNEIZAOD-UHFFFAOYSA-O
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5788
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8174019; UBI_ID: UBI-005790
Temperature 308 °C