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3-(3-((5-chloro-2-ethoxy-3-methoxybenzyl)ammonio)propyl)-1H-imidazol-3-ium chloride
SpectraBase Compound ID RP2dtX9yEG
InChI InChI=1S/C16H22ClN3O2.2ClH/c1-3-22-16-13(9-14(17)10-15(16)21-2)11-18-5-4-7-20-8-6-19-12-20;;/h6,8-10,12,18H,3-5,7,11H2,1-2H3;2*1H
InChIKey OOKYYZUWQTVBOI-UHFFFAOYSA-N
Mol Weight 396.75 g/mol
Molecular Formula C16H24Cl3N3O2
Exact Mass 395.09341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3FZHPH73Iej
Name 3-(3-((5-chloro-2-ethoxy-3-methoxybenzyl)ammonio)propyl)-1H-imidazol-3-ium chloride
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/C16H22ClN3O2.2ClH/c1-3-22-16-13(9-14(17)10-15(16)21-2)11-18-5-4-7-20-8-6-19-12-20;;/h6,8-10,12,18H,3-5,7,11H2,1-2H3;2*1H
InChIKey OOKYYZUWQTVBOI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6119
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: NMR/18211513; Labnumber: LT-1188X0876