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(5E)-1-(4-fluorophenyl)-5-{[(1-methyl-3-phenylpropyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KSHGUK81I2x
InChI InChI=1S/C21H20FN3O3/c1-14(7-8-15-5-3-2-4-6-15)23-13-18-19(26)24-21(28)25(20(18)27)17-11-9-16(22)10-12-17/h2-6,9-14,23H,7-8H2,1H3,(H,24,26,28)/b18-13+
InChIKey QTKGCUBWZSQFGV-QGOAFFKASA-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 HxVdCNyR8QL
Name (5E)-1-(4-fluorophenyl)-5-{[(1-methyl-3-phenylpropyl)amino]methylene}-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/c1-14(7-8-15-5-3-2-4-6-15)23-13-18-19(26)24-21(28)25(20(18)27)17-11-9-16(22)10-12-17/h2-6,9-14,23H,7-8H2,1H3,(H,24,26,28)/b18-13+
InChIKey QTKGCUBWZSQFGV-QGOAFFKASA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22255
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: D58400; Labnumber: KV-2434; SBI_ID: SBI-022259
Synonyms 1-(4-fluorophenyl)-5-{[(1-methyl-3-phenylpropyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 306 °C