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1-(3,4-dichlorobenzyl)-4-({5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolyl}carbonyl)piperazine
SpectraBase Compound ID Dm1fYncGuO6
InChI InChI=1S/C20H20Cl2N6O4/c1-13-16(12-27-11-15(9-23-27)28(30)31)19(24-32-13)20(29)26-6-4-25(5-7-26)10-14-2-3-17(21)18(22)8-14/h2-3,8-9,11H,4-7,10,12H2,1H3
InChIKey MFKZPYJWXVCMJU-UHFFFAOYSA-N
Mol Weight 479.32 g/mol
Molecular Formula C20H20Cl2N6O4
Exact Mass 478.092309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVMJTnwWDOT
Name 1-(3,4-dichlorobenzyl)-4-({5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolyl}carbonyl)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/C20H20Cl2N6O4/c1-13-16(12-27-11-15(9-23-27)28(30)31)19(24-32-13)20(29)26-6-4-25(5-7-26)10-14-2-3-17(21)18(22)8-14/h2-3,8-9,11H,4-7,10,12H2,1H3
InChIKey MFKZPYJWXVCMJU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32713
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: 1911444; SBI_ID: SBI-032717
Temperature 318 °C