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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(4-chlorophenyl)methylene]-1-(phenylmethyl)-, (5E)-
SpectraBase Compound ID JvoO7g1xOUB
InChI InChI=1S/C18H13ClN2O3/c19-14-8-6-12(7-9-14)10-15-16(22)20-18(24)21(17(15)23)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,22,24)/b15-10+
InChIKey ZTEJZFCPZQUXCF-XNTDXEJSSA-N
Mol Weight 340.77 g/mol
Molecular Formula C18H13ClN2O3
Exact Mass 340.06147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Geg3wtsBHBD
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-chlorophenyl)methylene]-1-(phenylmethyl)-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.061469984 u
Formula C18H13ClN2O3
InChI InChI=1S/C18H13ClN2O3/c19-14-8-6-12(7-9-14)10-15-16(22)20-18(24)21(17(15)23)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,22,24)/b15-10+
InChIKey ZTEJZFCPZQUXCF-XNTDXEJSSA-N
Molecular Weight 340.766 g/mol
SMILES N1C(\C(C(N(C1=O)CC1=CC=CC=C1)=O)=C\C=1C=CC(=CC1)Cl)=O