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5-[({2-[benzyl(dimethyl)ammonio]ethyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium dichloride
SpectraBase Compound ID DWPVHU7fim5
InChI InChI=1S/C19H24N4O2.2ClH/c1-22-14-17(9-10-18(22)13-21-25)19(24)20-11-12-23(2,3)15-16-7-5-4-6-8-16;;/h4-10,13-14H,11-12,15H2,1-3H3;2*1H
InChIKey FXIMEZSEQJUEIJ-UHFFFAOYSA-N
Mol Weight 413.35 g/mol
Molecular Formula C19H26Cl2N4O2
Exact Mass 412.143281 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4zIrU0gsyU5
Name 5-[({2-[benzyl(dimethyl)ammonio]ethyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium 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/C19H24N4O2.2ClH/c1-22-14-17(9-10-18(22)13-21-25)19(24)20-11-12-23(2,3)15-16-7-5-4-6-8-16;;/h4-10,13-14H,11-12,15H2,1-3H3;2*1H
InChIKey FXIMEZSEQJUEIJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6689
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: 63118; UBI_ID: UBI-006691
Synonyms 5-[({2-[benzyl(dimethyl)ammonio]ethyl}amino)carbonyl]-2-[(hydroxyimino)methyl]-1-methylpyridinium dichloride
Temperature 315 °C