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(5E)-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 9WkrRklx2cT
InChI InChI=1S/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)/b15-13+
InChIKey STQNZHIHYLXQLL-FYWRMAATSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPXKtv2pnOa
Name (5E)-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-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/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)/b15-13+
InChIKey STQNZHIHYLXQLL-FYWRMAATSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13870
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: D90963; Labnumber: KKA-0212A-0411; SBI_ID: SBI-013873
Synonyms 5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C