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4-{3-[(3-bromo-4-ethoxy-5-methoxybenzyl)ammonio]propyl}morpholin-4-ium dichloride
SpectraBase Compound ID E6GW2BssGc6
InChI InChI=1S/C17H27BrN2O3.2ClH/c1-3-23-17-15(18)11-14(12-16(17)21-2)13-19-5-4-6-20-7-9-22-10-8-20;;/h11-12,19H,3-10,13H2,1-2H3;2*1H
InChIKey FVBZNQWLYSVNNA-UHFFFAOYSA-N
Mol Weight 460.24 g/mol
Molecular Formula C17H29BrCl2N2O3
Exact Mass 458.073861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8gANm2dHxwI
Name 4-{3-[(3-bromo-4-ethoxy-5-methoxybenzyl)ammonio]propyl}morpholin-4-ium 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/C17H27BrN2O3.2ClH/c1-3-23-17-15(18)11-14(12-16(17)21-2)13-19-5-4-6-20-7-9-22-10-8-20;;/h11-12,19H,3-10,13H2,1-2H3;2*1H
InChIKey FVBZNQWLYSVNNA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32256
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: 1844808; SBI_ID: SBI-032260
Temperature 318 °C