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(5E)-1-allyl-5-{1-[(2-phenylethyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID ERMXxj1usf8
InChI InChI=1S/C17H19N3O3/c1-3-11-20-16(22)14(15(21)19-17(20)23)12(2)18-10-9-13-7-5-4-6-8-13/h3-8,18H,1,9-11H2,2H3,(H,19,21,23)/b14-12+
InChIKey QEPUMXMTRFNMFC-WYMLVPIESA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQb6LHuD9Zl
Name (5E)-1-Allyl-5-{1-[(2-phenylethyl)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 313.142641481 u
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-3-11-20-16(22)14(15(21)19-17(20)23)12(2)18-10-9-13-7-5-4-6-8-13/h3-8,18H,1,9-11H2,2H3,(H,19,21,23)/b14-12+
InChIKey QEPUMXMTRFNMFC-WYMLVPIESA-N
SMILES N(\C(=C\1C(N(C(NC1=O)=O)CC=C)=O)C)CCC1=CC=CC=C1