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

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1-(3-methoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID 1uKf6U9LobM
InChI InChI=1S/C20H23F3N2O.C2H2O4/c1-26-19-4-2-3-17(13-19)15-25-11-9-24(10-12-25)14-16-5-7-18(8-6-16)20(21,22)23;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey HHPBPZVSZSGEHE-UHFFFAOYSA-N
Mol Weight 454.45 g/mol
Molecular Formula C22H25F3N2O5
Exact Mass 454.171556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DiCUU0lbjVL
Name 1-(3-methoxybenzyl)-4-[4-(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/C20H23F3N2O.C2H2O4/c1-26-19-4-2-3-17(13-19)15-25-11-9-24(10-12-25)14-16-5-7-18(8-6-16)20(21,22)23;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey HHPBPZVSZSGEHE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12973
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/9030147; UBI_ID: UBI-012976
Temperature 318 °C