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2-{[(E)-(1-hexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
SpectraBase Compound ID AjMAovUL8m
InChI InChI=1S/C16H28N4O3.HI/c1-5-6-7-8-10-19-15(22)13(14(21)18-16(19)23)12-17-9-11-20(2,3)4;/h12H,5-11H2,1-4H3,(H-,17,18,21,22,23);1H
InChIKey BPAWIUUAZATJPP-UHFFFAOYSA-N
Mol Weight 452.34 g/mol
Molecular Formula C16H29IN4O3
Exact Mass 452.128436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBuJfzSrkay
Name 2-{[(E)-(1-hexyl-2,4,6-trioxotetrahydro-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/C16H28N4O3.HI/c1-5-6-7-8-10-19-15(22)13(14(21)18-16(19)23)12-17-9-11-20(2,3)4;/h12H,5-11H2,1-4H3,(H-,17,18,21,22,23);1H
InChIKey BPAWIUUAZATJPP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8976
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: D40118; Labnumber: KKA-0211-1796; SBI_ID: SBI-008979
Synonyms 2-{[(1-hexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N,N-trimethylethanaminium iodide
Temperature 306 °C