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1-(3,4-dimethoxybenzyl)-4-(3-fluorobenzyl)piperazinediium oxalate

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1-(3,4-dimethoxybenzyl)-4-(3-fluorobenzyl)piperazinediium oxalate
SpectraBase Compound ID KPt1q39cjHD
InChI InChI=1S/C20H25FN2O2.C2H2O4/c1-24-19-7-6-17(13-20(19)25-2)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey NWLGHWFDBOWXNB-UHFFFAOYSA-N
Mol Weight 434.46 g/mol
Molecular Formula C22H27FN2O6
Exact Mass 434.185315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5uQM1Wcle09
Name 1-(3,4-dimethoxybenzyl)-4-(3-fluorobenzyl)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/C20H25FN2O2.C2H2O4/c1-24-19-7-6-17(13-20(19)25-2)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey NWLGHWFDBOWXNB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17056
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/9030280; UBI_ID: UBI-017059
Temperature 318 °C