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1-benzyl-5-[({3-[benzyl(dimethyl)ammonio]propyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]pyridinium dichloride
SpectraBase Compound ID 82VBABoMP3C
InChI InChI=1S/C26H30N4O2.2ClH/c1-30(2,21-23-12-7-4-8-13-23)17-9-16-27-26(31)24-14-15-25(18-28-32)29(20-24)19-22-10-5-3-6-11-22;;/h3-8,10-15,18,20H,9,16-17,19,21H2,1-2H3;2*1H
InChIKey HLFSDQGKNODYBE-UHFFFAOYSA-N
Mol Weight 503.47 g/mol
Molecular Formula C26H32Cl2N4O2
Exact Mass 502.190232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8XD4OdxZ9g
Name 1-benzyl-5-[({3-[benzyl(dimethyl)ammonio]propyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]pyridinium 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/C26H30N4O2.2ClH/c1-30(2,21-23-12-7-4-8-13-23)17-9-16-27-26(31)24-14-15-25(18-28-32)29(20-24)19-22-10-5-3-6-11-22;;/h3-8,10-15,18,20H,9,16-17,19,21H2,1-2H3;2*1H
InChIKey HLFSDQGKNODYBE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6695
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: 63127; UBI_ID: UBI-006697
Synonyms 1-benzyl-5-[({3-[benzyl(dimethyl)ammonio]propyl}amino)carbonyl]-2-[(hydroxyimino)methyl]pyridinium dichloride
Temperature 315 °C