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1-methyl-3-{[(2-{[(1-methyl-3-pyridiniumyl)carbonyl]amino}ethyl)amino]carbonyl}pyridinium diiodide
SpectraBase Compound ID 70YiHnUfF10
InChI InChI=1S/C16H18N4O2.2HI/c1-19-9-3-5-13(11-19)15(21)17-7-8-18-16(22)14-6-4-10-20(2)12-14;;/h3-6,9-12H,7-8H2,1-2H3;2*1H
InChIKey NCAMCPCMIQBKDQ-UHFFFAOYSA-N
Mol Weight 554.17095 g/mol
Molecular Formula C16H20I2N4O2
Exact Mass 553.967566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEtOR4N2bQG
Name 1-methyl-3-{[(2-{[(1-methyl-3-pyridiniumyl)carbonyl]amino}ethyl)amino]carbonyl}pyridinium 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/C16H18N4O2.2HI/c1-19-9-3-5-13(11-19)15(21)17-7-8-18-16(22)14-6-4-10-20(2)12-14;;/h3-6,9-12H,7-8H2,1-2H3;2*1H
InChIKey NCAMCPCMIQBKDQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7789
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: D32295; Labnumber: BAL3-3278; SBI_ID: SBI-007792
Temperature 315 °C