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(5E)-1-benzyl-5-{1-[(4-fluorobenzyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID HQebSlEFNwC
InChI InChI=1S/C20H18FN3O3/c1-13(22-11-14-7-9-16(21)10-8-14)17-18(25)23-20(27)24(19(17)26)12-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,23,25,27)/b17-13+
InChIKey YOEZRCOFBIFTNB-GHRIWEEISA-N
Mol Weight 367.38 g/mol
Molecular Formula C20H18FN3O3
Exact Mass 367.13322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nS0g9j2OQo
Name (5E)-1-Benzyl-5-{1-[(4-fluorobenzyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.133219612 u
Formula C20H18FN3O3
InChI InChI=1S/C20H18FN3O3/c1-13(22-11-14-7-9-16(21)10-8-14)17-18(25)23-20(27)24(19(17)26)12-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,23,25,27)/b17-13+
InChIKey YOEZRCOFBIFTNB-GHRIWEEISA-N
Molecular Weight 367.380 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)CC=1C=CC=CC1)=O)C)CC=1C=CC(=CC1)F