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5-[({2-[diethyl(methyl)ammonio]ethyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium diiodide
SpectraBase Compound ID 4Gxk2mIf9fz
InChI InChI=1S/C15H24N4O2.2HI/c1-5-19(4,6-2)10-9-16-15(20)13-7-8-14(11-17-21)18(3)12-13;;/h7-8,11-12H,5-6,9-10H2,1-4H3;2*1H
InChIKey JCVYPDSVPANOQH-UHFFFAOYSA-N
Mol Weight 548.20795 g/mol
Molecular Formula C15H26I2N4O2
Exact Mass 548.014516 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ExDNF6hiLtI
Name 5-[({2-[diethyl(methyl)ammonio]ethyl}amino)carbonyl]-2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium diiodide
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/C15H24N4O2.2HI/c1-5-19(4,6-2)10-9-16-15(20)13-7-8-14(11-17-21)18(3)12-13;;/h7-8,11-12H,5-6,9-10H2,1-4H3;2*1H
InChIKey JCVYPDSVPANOQH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19390
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: D13413; Labnumber: BAL3-3789; SBI_ID: SBI-019393
Synonyms 5-[({2-[diethyl(methyl)ammonio]ethyl}amino)carbonyl]-2-[(hydroxyimino)methyl]-1-methylpyridinium diiodide
Temperature 308 °C