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1-(2-fluorobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate

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1-(2-fluorobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 5EXjPl6Dwa6
InChI InChI=1S/C21H27FN2O3.C2H2O4/c1-25-19-13-21(27-3)20(26-2)12-17(19)15-24-10-8-23(9-11-24)14-16-6-4-5-7-18(16)22;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey JQLWOEKTZYNWPE-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C23H29FN2O7
Exact Mass 464.195879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MxSWvqGVVT
Name 1-(2-fluorobenzyl)-4-(2,4,5-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/C21H27FN2O3.C2H2O4/c1-25-19-13-21(27-3)20(26-2)12-17(19)15-24-10-8-23(9-11-24)14-16-6-4-5-7-18(16)22;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey JQLWOEKTZYNWPE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12968
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/9030118; UBI_ID: UBI-012971
Temperature 318 °C