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1-(5-bromo-2-methoxybenzyl)-4-(3,4-dimethoxybenzoyl)piperazin-1-ium
SpectraBase Compound ID CbAzPllpAzO
InChI InChI=1S/C21H25BrN2O4/c1-26-18-7-5-17(22)12-16(18)14-23-8-10-24(11-9-23)21(25)15-4-6-19(27-2)20(13-15)28-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1
InChIKey JQTNMSMNKGSYNM-UHFFFAOYSA-O
Mol Weight 450.35 g/mol
Molecular Formula C21H26BrN2O4
Exact Mass 449.107595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6NnA6nw75hu
Name 1-(5-bromo-2-methoxybenzyl)-4-(3,4-dimethoxybenzoyl)piperazin-1-ium
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/C21H25BrN2O4/c1-26-18-7-5-17(22)12-16(18)14-23-8-10-24(11-9-23)21(25)15-4-6-19(27-2)20(13-15)28-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1
InChIKey JQTNMSMNKGSYNM-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13629
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/9310978; UBI_ID: UBI-013632
Temperature 308 °C