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1-benzyl-4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine
SpectraBase Compound ID 51WE6aTxG21
InChI InChI=1S/C22H22ClN5O3/c23-20-16-27(24-21(20)28(30)31)15-18-6-8-19(9-7-18)22(29)26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKey MLWXFIPSTWMNJP-UHFFFAOYSA-N
Mol Weight 439.9 g/mol
Molecular Formula C22H22ClN5O3
Exact Mass 439.141117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGcKP5nN4cM
Name 1-benzyl-4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine
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/C22H22ClN5O3/c23-20-16-27(24-21(20)28(30)31)15-18-6-8-19(9-7-18)22(29)26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKey MLWXFIPSTWMNJP-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3626
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/8098344; UBI_ID: UBI-003627
Temperature 308 °C