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1-(ethylsulfonyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}phenyl)piperazine
SpectraBase Compound ID 3XcNFqCmlhI
InChI InChI=1S/C23H27F3N6O6S/c1-2-39(37,38)30-13-11-27(12-14-30)18-4-6-20(31(33)34)21(16-18)29-9-7-28(8-10-29)19-5-3-17(23(24,25)26)15-22(19)32(35)36/h3-6,15-16H,2,7-14H2,1H3
InChIKey VDGXIALVGIJLQI-UHFFFAOYSA-N
Mol Weight 572.56 g/mol
Molecular Formula C23H27F3N6O6S
Exact Mass 572.166488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cfu5KX3Eo5f
Name 1-(ethylsulfonyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}phenyl)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/C23H27F3N6O6S/c1-2-39(37,38)30-13-11-27(12-14-30)18-4-6-20(31(33)34)21(16-18)29-9-7-28(8-10-29)19-5-3-17(23(24,25)26)15-22(19)32(35)36/h3-6,15-16H,2,7-14H2,1H3
InChIKey VDGXIALVGIJLQI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6248
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: NMR/11242638; Labnumber: LP-2501891; IOH_ID: IOH-006249