1-(1H-indol-3-ylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	6GOLQqPdtTP
InChI	InChI=1S/C21H22F3N3.C2H2O4/c22-21(23,24)19-7-3-1-5-16(19)14-26-9-11-27(12-10-26)15-17-13-25-20-8-4-2-6-18(17)20;3-1(4)2(5)6/h1-8,13,25H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey	XECHJEBRKULOCG-UHFFFAOYSA-N Google Search
Mol Weight	463.46 g/mol
Molecular Formula	C23H24F3N3O4
Exact Mass	463.171891 g/mol

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SpectraBase Spectrum ID	LRzvycxj19U
Name	1-(1H-indol-3-ylmethyl)-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/C21H22F3N3.C2H2O4/c22-21(23,24)19-7-3-1-5-16(19)14-26-9-11-27(12-10-26)15-17-13-25-20-8-4-2-6-18(17)20;3-1(4)2(5)6/h1-8,13,25H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey	XECHJEBRKULOCG-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8456
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/9030795; UBI_ID: UBI-008459
Temperature	313 °C