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(5E)-1-allyl-5-[1-(4-fluoroanilino)propylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID F5XiInW3QWR
InChI InChI=1S/C16H16FN3O3/c1-3-9-20-15(22)13(14(21)19-16(20)23)12(4-2)18-11-7-5-10(17)6-8-11/h3,5-8,18H,1,4,9H2,2H3,(H,19,21,23)/b13-12+
InChIKey HNRWLNCDCIGMLG-OUKQBFOZSA-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 Hvjbb3Pvopt
Name (5E)-1-allyl-5-[1-(4-fluoroanilino)propylidene]-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/c1-3-9-20-15(22)13(14(21)19-16(20)23)12(4-2)18-11-7-5-10(17)6-8-11/h3,5-8,18H,1,4,9H2,2H3,(H,19,21,23)/b13-12+
InChIKey HNRWLNCDCIGMLG-OUKQBFOZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13548
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: D86187; Labnumber: KKA-0212A-0876; SBI_ID: SBI-013551
Synonyms 1-allyl-5-[1-(4-fluoroanilino)propylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C