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(5E)-5-{1-[(4-fluorobenzyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID FMpEkV8FNnS
InChI InChI=1S/C21H20FN3O3/c1-3-17(23-12-14-6-8-15(22)9-7-14)18-19(26)24-21(28)25(20(18)27)16-10-4-13(2)5-11-16/h4-11,23H,3,12H2,1-2H3,(H,24,26,28)/b18-17+
InChIKey OONBRPITKAVYGE-ISLYRVAYSA-N
Mol Weight 381.41 g/mol
Molecular Formula C21H20FN3O3
Exact Mass 381.14887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7eFcYWKM9AJ
Name (5E)-5-{1-[(4-fluorobenzyl)amino]propylidene}-1-(4-methylphenyl)-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/C21H20FN3O3/c1-3-17(23-12-14-6-8-15(22)9-7-14)18-19(26)24-21(28)25(20(18)27)16-10-4-13(2)5-11-16/h4-11,23H,3,12H2,1-2H3,(H,24,26,28)/b18-17+
InChIKey OONBRPITKAVYGE-ISLYRVAYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4742
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: E10324; Labnumber: KKA-0212A-1282; SBI_ID: SBI-004744
Synonyms 5-{1-[(4-fluorobenzyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C