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

SpectraBase Compound ID	5Ch2SXldgMk
InChI	InChI=1S/C22H27F3N2O3.C2H2O4/c1-28-19-9-8-17(20(29-2)21(19)30-3)15-27-12-10-26(11-13-27)14-16-6-4-5-7-18(16)22(23,24)25;3-1(4)2(5)6/h4-9H,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	HDUFYZWGCPKESE-UHFFFAOYSA-N Google Search
Mol Weight	514.5 g/mol
Molecular Formula	C24H29F3N2O7
Exact Mass	514.192686 g/mol

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SpectraBase Spectrum ID	AmXMaT3upq1
Name	1-[2-(trifluoromethyl)benzyl]-4-(2,3,4-trimethoxybenzyl)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/C22H27F3N2O3.C2H2O4/c1-28-19-9-8-17(20(29-2)21(19)30-3)15-27-12-10-26(11-13-27)14-16-6-4-5-7-18(16)22(23,24)25;3-1(4)2(5)6/h4-9H,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	HDUFYZWGCPKESE-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17040
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/9029884; UBI_ID: UBI-017043
Temperature	318 °C