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1-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-4-phenylpiperazine
SpectraBase Compound ID DZv39tSv7o9
InChI InChI=1S/C21H21BrN4O/c22-19-14-23-26(16-19)15-17-6-8-18(9-7-17)21(27)25-12-10-24(11-13-25)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKey XMBOMYVWTOHSIF-UHFFFAOYSA-N
Mol Weight 425.33 g/mol
Molecular Formula C21H21BrN4O
Exact Mass 424.089874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5SAH4z4gFS
Name 1-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-4-phenylpiperazine
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/C21H21BrN4O/c22-19-14-23-26(16-19)15-17-6-8-18(9-7-17)21(27)25-12-10-24(11-13-25)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKey XMBOMYVWTOHSIF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4650
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/9099283; Labnumber: BIUS-619919; UZI_ID: UZI-004652
Temperature 308 °C