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2-{[(Z)-(1-butyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
SpectraBase Compound ID PcIFDqY4lw
InChI InChI=1S/C14H24N4O2S.HI/c1-5-6-8-17-13(20)11(12(19)16-14(17)21)10-15-7-9-18(2,3)4;/h10H,5-9H2,1-4H3,(H-,15,16,19,20,21);1H
InChIKey DUQUXHNQBWPDHS-UHFFFAOYSA-N
Mol Weight 440.34 g/mol
Molecular Formula C14H25IN4O2S
Exact Mass 440.074292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9GVILMhJt4
Name 2-{[(Z)-(1-butyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium 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/C14H24N4O2S.HI/c1-5-6-8-17-13(20)11(12(19)16-14(17)21)10-15-7-9-18(2,3)4;/h10H,5-9H2,1-4H3,(H-,15,16,19,20,21);1H
InChIKey DUQUXHNQBWPDHS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8994
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: D40156; Labnumber: KKA-0211-2416; SBI_ID: SBI-008997
Synonyms 2-{[(1-butyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
Temperature 306 °C