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1-(3,4-dimethoxybenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID DXWhvpmydXz
InChI InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-19-8-7-16(13-20(19)28-2)14-25-9-11-26(12-10-25)15-17-5-3-4-6-18(17)21(22,23)24;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VYDGZEWHEJNKQN-UHFFFAOYSA-N
Mol Weight 484.47 g/mol
Molecular Formula C23H27F3N2O6
Exact Mass 484.182121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Y5wWvdt8V5
Name 1-(3,4-dimethoxybenzyl)-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/C21H25F3N2O2.C2H2O4/c1-27-19-8-7-16(13-20(19)28-2)14-25-9-11-26(12-10-25)15-17-5-3-4-6-18(17)21(22,23)24;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VYDGZEWHEJNKQN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8449
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/9030617; UBI_ID: UBI-008452
Temperature 308 °C