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(5Z)-5-[(cyclopropylamino)methylene]-1-[2-(4-fluorophenyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID neZ8aUN25C
InChI InChI=1S/C16H16FN3O3/c17-11-3-1-10(2-4-11)7-8-20-15(22)13(9-18-12-5-6-12)14(21)19-16(20)23/h1-4,9,12,18H,5-8H2,(H,19,21,23)/b13-9-
InChIKey GBJJYLKYLRCDSW-LCYFTJDESA-N
Mol Weight 317.32 g/mol
Molecular Formula C16H16FN3O3
Exact Mass 317.11757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HxN1Ilv2W7U
Name (5Z)-5-[(cyclopropylamino)methylene]-1-[2-(4-fluorophenyl)ethyl]-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/C16H16FN3O3/c17-11-3-1-10(2-4-11)7-8-20-15(22)13(9-18-12-5-6-12)14(21)19-16(20)23/h1-4,9,12,18H,5-8H2,(H,19,21,23)/b13-9-
InChIKey GBJJYLKYLRCDSW-LCYFTJDESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8964
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: D40092; Labnumber: KKA-0211-0359; SBI_ID: SBI-008967
Synonyms 5-[(cyclopropylamino)methylene]-1-[2-(4-fluorophenyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C