1-(2,5-dimethoxybenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	GpoOftHBYuL
InChI	InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-18-7-8-20(28-2)17(13-18)15-26-11-9-25(10-12-26)14-16-5-3-4-6-19(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	HVJBKGRPFICRFJ-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	HFo5otWxOrL
Name	1-(2,5-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/c1-27-18-7-8-20(28-2)17(13-18)15-26-11-9-25(10-12-26)14-16-5-3-4-6-19(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	HVJBKGRPFICRFJ-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17059
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/9030339; UBI_ID: UBI-017062
Temperature	313 °C