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1-benzyl-4-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]piperazine
SpectraBase Compound ID 8AOYkQ1qBzT
InChI InChI=1S/C21H21Cl2N5O2/c22-20(23)18-19(28(29)30)21(27(24-18)17-9-5-2-6-10-17)26-13-11-25(12-14-26)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey PPZXZVQJBNJDJO-UHFFFAOYSA-N
Mol Weight 446.34 g/mol
Molecular Formula C21H21Cl2N5O2
Exact Mass 445.10723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4H0Y6tzBbhP
Name 1-benzyl-4-[3-(dichloromethyl)-4-nitro-1-phenyl-1H-pyrazol-5-yl]piperazine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.107230334 u
Formula C21H21Cl2N5O2
InChI InChI=1S/C21H21Cl2N5O2/c22-20(23)18-19(28(29)30)21(27(24-18)17-9-5-2-6-10-17)26-13-11-25(12-14-26)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey PPZXZVQJBNJDJO-UHFFFAOYSA-N
Molecular Weight 446.338 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4180
Solvent DMSO-d6
Source Vendor ID: NMR/12308839