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1-(3-bromo-4-methoxybenzyl)-4-(3,4,5-trimethoxybenzyl)piperazinediium oxalate

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1-(3-bromo-4-methoxybenzyl)-4-(3,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 9Bh1Kjyo4xt
InChI InChI=1S/C22H29BrN2O4.C2H2O4/c1-26-19-6-5-16(11-18(19)23)14-24-7-9-25(10-8-24)15-17-12-20(27-2)22(29-4)21(13-17)28-3;3-1(4)2(5)6/h5-6,11-13H,7-10,14-15H2,1-4H3;(H,3,4)(H,5,6)
InChIKey BDZPWFNIYKDMSL-UHFFFAOYSA-N
Mol Weight 555.42 g/mol
Molecular Formula C24H31BrN2O8
Exact Mass 554.126379 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87vjXDUDVJa
Name 1-(3-bromo-4-methoxybenzyl)-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/C22H29BrN2O4.C2H2O4/c1-26-19-6-5-16(11-18(19)23)14-24-7-9-25(10-8-24)15-17-12-20(27-2)22(29-4)21(13-17)28-3;3-1(4)2(5)6/h5-6,11-13H,7-10,14-15H2,1-4H3;(H,3,4)(H,5,6)
InChIKey BDZPWFNIYKDMSL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13050
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/9031138; UBI_ID: UBI-013053
Temperature 318 °C