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5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID BaVijtTUUIW
InChI InChI=1S/C12H18N4O3/c1-8(15-16-6-4-2-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h15H,2-7H2,1H3,(H2,13,14,17,18,19)
InChIKey KCTOVEGGYQCCDN-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C12H18N4O3
Exact Mass 266.13789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTAV9woxkM5
Name 5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C12H18N4O3/c1-8(15-16-6-4-2-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h15H,2-7H2,1H3,(H2,13,14,17,18,19)
InChIKey KCTOVEGGYQCCDN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28533
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: D86137; Labnumber: KKA-0212A-0041; SBI_ID: SBI-028537
Temperature 306 °C