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

SpectraBase Compound ID	4zHlgt6jpon
InChI	InChI=1S/C19H20ClF3N2.C2H2O4/c20-17-6-3-4-15(12-17)13-24-8-10-25(11-9-24)14-16-5-1-2-7-18(16)19(21,22)23;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey	RGPKDVQXFZHLSS-UHFFFAOYSA-N Google Search
Mol Weight	458.87 g/mol
Molecular Formula	C21H22ClF3N2O4
Exact Mass	458.122019 g/mol

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SpectraBase Spectrum ID	BulClH70SGm
Name	1-(3-chlorobenzyl)-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/C19H20ClF3N2.C2H2O4/c20-17-6-3-4-15(12-17)13-24-8-10-25(11-9-24)14-16-5-1-2-7-18(16)19(21,22)23;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey	RGPKDVQXFZHLSS-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_12921
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/9029511; UBI_ID: UBI-012924
Temperature	308 °C