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1-[4-(trifluoromethyl)benzyl]-4-(3,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID rrYUAcTcq9
InChI InChI=1S/C22H27F3N2O3.C2H2O4/c1-28-19-12-17(13-20(29-2)21(19)30-3)15-27-10-8-26(9-11-27)14-16-4-6-18(7-5-16)22(23,24)25;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey ZNDVEIWGKQREOM-UHFFFAOYSA-N
Mol Weight 514.5 g/mol
Molecular Formula C24H29F3N2O7
Exact Mass 514.192686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHEiyqeBpwh
Name 1-[4-(trifluoromethyl)benzyl]-4-(3,4,5-trimethoxybenzyl)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/C22H27F3N2O3.C2H2O4/c1-28-19-12-17(13-20(29-2)21(19)30-3)15-27-10-8-26(9-11-27)14-16-4-6-18(7-5-16)22(23,24)25;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey ZNDVEIWGKQREOM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13026
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/9030804; UBI_ID: UBI-013029
Temperature 318 °C