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N~1~-{5-bromo-2-[2-oxo-2-(4-toluidino)ethoxy]benzyl}-N~2~,N~2~-dimethyl-1,2-ethanediaminium dichloride
SpectraBase Compound ID 3LrLTG2ewPH
InChI InChI=1S/C20H26BrN3O2.2ClH/c1-15-4-7-18(8-5-15)23-20(25)14-26-19-9-6-17(21)12-16(19)13-22-10-11-24(2)3;;/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,23,25);2*1H
InChIKey HPJIJTMCDVIPIF-UHFFFAOYSA-N
Mol Weight 493.27 g/mol
Molecular Formula C20H28BrCl2N3O2
Exact Mass 491.074196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qUWisZcJ8U
Name N~1~-{5-bromo-2-[2-oxo-2-(4-toluidino)ethoxy]benzyl}-N~2~,N~2~-dimethyl-1,2-ethanediaminium dichloride
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/C20H26BrN3O2.2ClH/c1-15-4-7-18(8-5-15)23-20(25)14-26-19-9-6-17(21)12-16(19)13-22-10-11-24(2)3;;/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,23,25);2*1H
InChIKey HPJIJTMCDVIPIF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31639
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: 1843144; SBI_ID: SBI-031643
Temperature 318 °C