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1-(4,5-dimethoxy-2-nitrobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID L7j42sPgTUq
InChI InChI=1S/C21H24F3N3O4.C2H2O4/c1-30-19-11-16(18(27(28)29)12-20(19)31-2)14-26-9-7-25(8-10-26)13-15-5-3-4-6-17(15)21(22,23)24;3-1(4)2(5)6/h3-6,11-12H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey DQNCGTJTRNTBSM-UHFFFAOYSA-N
Mol Weight 529.47 g/mol
Molecular Formula C23H26F3N3O8
Exact Mass 529.167199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8ZQ3jC5qmA
Name 1-(4,5-dimethoxy-2-nitrobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate
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/C21H24F3N3O4.C2H2O4/c1-30-19-11-16(18(27(28)29)12-20(19)31-2)14-26-9-7-25(8-10-26)13-15-5-3-4-6-17(15)21(22,23)24;3-1(4)2(5)6/h3-6,11-12H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey DQNCGTJTRNTBSM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17046
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/9030101; UBI_ID: UBI-017049
Temperature 318 °C