1-(3-bromo-4-methoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine oxalate

SpectraBase Compound ID	9TfWraTWRBQ
InChI	InChI=1S/C20H22BrF3N2O.C2H2O4/c1-27-19-7-4-16(12-18(19)21)14-26-10-8-25(9-11-26)13-15-2-5-17(6-3-15)20(22,23)24;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKey	VYSHJZGPRIATPC-UHFFFAOYSA-N Google Search
Mol Weight	533.34 g/mol
Molecular Formula	C22H24BrF3N2O5
Exact Mass	532.082069 g/mol

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SpectraBase Spectrum ID	BQocBmQb7ZI
Name	1-(3-bromo-4-methoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine 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/C20H22BrF3N2O.C2H2O4/c1-27-19-7-4-16(12-18(19)21)14-26-10-8-25(9-11-26)13-15-2-5-17(6-3-15)20(22,23)24;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKey	VYSHJZGPRIATPC-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8185
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/9029920; UBI_ID: UBI-008188
Temperature	313 °C