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(5E)-5-(1-{[2-(1-cyclohexen-1-yl)ethyl]amino}ethylidene)-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID C3FYTmwvcJS
InChI InChI=1S/C21H25N3O3/c1-14-8-10-17(11-9-14)24-20(26)18(19(25)23-21(24)27)15(2)22-13-12-16-6-4-3-5-7-16/h6,8-11,22H,3-5,7,12-13H2,1-2H3,(H,23,25,27)/b18-15+
InChIKey FEAZDEPYSFTMKW-OBGWFSINSA-N
Mol Weight 367.45 g/mol
Molecular Formula C21H25N3O3
Exact Mass 367.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVKzoY641kh
Name (5E)-5-(1-{[2-(1-Cyclohexen-1-yl)ethyl]amino}ethylidene)-1-(4-methylphenyl)-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 367.189591674 u
Formula C21H25N3O3
InChI InChI=1S/C21H25N3O3/c1-14-8-10-17(11-9-14)24-20(26)18(19(25)23-21(24)27)15(2)22-13-12-16-6-4-3-5-7-16/h6,8-11,22H,3-5,7,12-13H2,1-2H3,(H,23,25,27)/b18-15+
InChIKey FEAZDEPYSFTMKW-OBGWFSINSA-N
Molecular Weight 367.449 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C1=CC=C(C=C1)C)=O)C)CCC1=CCCCC1