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(5E)-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID FtMiSIWd50e
InChI InChI=1S/C17H28N4O3/c1-2-3-4-9-12-21-16(23)14(15(22)19-17(21)24)13-18-20-10-7-5-6-8-11-20/h13,18H,2-12H2,1H3,(H,19,22,24)/b14-13+
InChIKey QTCGPTRUTSQVPS-BUHFOSPRSA-N
Mol Weight 336.44 g/mol
Molecular Formula C17H28N4O3
Exact Mass 336.216141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DnzHKIMJrmJ
Name (5E)-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H28N4O3/c1-2-3-4-9-12-21-16(23)14(15(22)19-17(21)24)13-18-20-10-7-5-6-8-11-20/h13,18H,2-12H2,1H3,(H,19,22,24)/b14-13+
InChIKey QTCGPTRUTSQVPS-BUHFOSPRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27534
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: D77099; Labnumber: KKA-0211-1778; SBI_ID: SBI-027538
Synonyms 5-[(hexahydro-1H-azepin-1-ylamino)methylene]-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 315 °C