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1-(3-bromobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID 2Yvimr6hbMt
InChI InChI=1S/C19H20BrF3N2.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 NUUVYNSWPKQKDT-UHFFFAOYSA-N
Mol Weight 503.32 g/mol
Molecular Formula C21H22BrF3N2O4
Exact Mass 502.071505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5We3ECH9SeG
Name 1-(3-bromobenzyl)-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/C19H20BrF3N2.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 NUUVYNSWPKQKDT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17074
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/9030651; UBI_ID: UBI-017077
Temperature 318 °C