1-(2,3-dimethoxybenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	2SfpkTd9M8s
InChI	InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-19-9-5-7-17(20(19)28-2)15-26-12-10-25(11-13-26)14-16-6-3-4-8-18(16)21(22,23)24;3-1(4)2(5)6/h3-9H,10-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey	DSTWRBIXZGHAEV-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	8x0JXMKkRkc
Name	1-(2,3-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/c1-27-19-9-5-7-17(20(19)28-2)15-26-12-10-25(11-13-26)14-16-6-3-4-8-18(16)21(22,23)24;3-1(4)2(5)6/h3-9H,10-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey	DSTWRBIXZGHAEV-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13029
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/9030884; UBI_ID: UBI-013032
Temperature	318 °C