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4-{3-[(3-bromo-4-butoxy-5-methoxybenzyl)ammonio]propyl}morpholin-4-ium dichloride
SpectraBase Compound ID 8mxyhOy1hTD
InChI InChI=1S/C19H31BrN2O3.2ClH/c1-3-4-10-25-19-17(20)13-16(14-18(19)23-2)15-21-6-5-7-22-8-11-24-12-9-22;;/h13-14,21H,3-12,15H2,1-2H3;2*1H
InChIKey XIOVQIKDRMCLSN-UHFFFAOYSA-N
Mol Weight 488.29 g/mol
Molecular Formula C19H33BrCl2N2O3
Exact Mass 486.105161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ajTvpSt3TD
Name 4-{3-[(3-bromo-4-butoxy-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/C19H31BrN2O3.2ClH/c1-3-4-10-25-19-17(20)13-16(14-18(19)23-2)15-21-6-5-7-22-8-11-24-12-9-22;;/h13-14,21H,3-12,15H2,1-2H3;2*1H
InChIKey XIOVQIKDRMCLSN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31493
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: 1842914; SBI_ID: SBI-031497
Temperature 306 °C