1-(3,4-dimethoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	Buh4uxGRYK6
InChI	InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-19-8-5-17(13-20(19)28-2)15-26-11-9-25(10-12-26)14-16-3-6-18(7-4-16)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	HBHUVMUDTGVBBN-UHFFFAOYSA-N Google Search
Mol Weight	484.47 g/mol
Molecular Formula	C23H27F3N2O6
Exact Mass	484.182121 g/mol

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SpectraBase Spectrum ID	EUYD6hwoQsi
Name	1-(3,4-dimethoxybenzyl)-4-[4-(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/c1-27-19-8-5-17(13-20(19)28-2)15-26-11-9-25(10-12-26)14-16-3-6-18(7-4-16)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	HBHUVMUDTGVBBN-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13010
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/9030583; UBI_ID: UBI-013013
Temperature	318 °C