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4,6-dimethyl-2-(methylthio)-5-oxo-3,3a,4,5,6,6a-hexahydroimidazo[4,5-d]imidazol-1-ium iodide
SpectraBase Compound ID 212wbP1Xjyl
InChI InChI=1S/C7H12N4OS.HI/c1-10-4-5(11(2)7(10)12)9-6(8-4)13-3;/h4-5H,1-3H3,(H,8,9);1H
InChIKey YZBGEAHNOZZHBJ-UHFFFAOYSA-N
Mol Weight 328.17 g/mol
Molecular Formula C7H13IN4OS
Exact Mass 327.985477 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MP2ahfkBRL
Name 4,6-dimethyl-2-(methylthio)-5-oxo-3,3a,4,5,6,6a-hexahydroimidazo[4,5-d]imidazol-1-ium iodide
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/C7H12N4OS.HI/c1-10-4-5(11(2)7(10)12)9-6(8-4)13-3;/h4-5H,1-3H3,(H,8,9);1H
InChIKey YZBGEAHNOZZHBJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1324
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: ZI/8086106; Labnumber: POV-KX00085
Temperature 303 °C