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5-{4-[(2,6-dichlorobenzyl)oxy]-3-ethoxybenzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 4sbTPXFWagi
InChI InChI=1S/C20H16Cl2N2O5/c1-2-28-17-9-11(8-12-18(25)23-20(27)24-19(12)26)6-7-16(17)29-10-13-14(21)4-3-5-15(13)22/h3-9H,2,10H2,1H3,(H2,23,24,25,26,27)
InChIKey LTDJMUWIZRBDNP-UHFFFAOYSA-N
Mol Weight 435.26 g/mol
Molecular Formula C20H16Cl2N2O5
Exact Mass 434.043627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMC2EkcB341
Name 5-{4-[(2,6-Dichlorobenzyl)oxy]-3-ethoxybenzylidene}-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 434.043627018 u
Formula C20H16Cl2N2O5
InChI InChI=1S/C20H16Cl2N2O5/c1-2-28-17-9-11(8-12-18(25)23-20(27)24-19(12)26)6-7-16(17)29-10-13-14(21)4-3-5-15(13)22/h3-9H,2,10H2,1H3,(H2,23,24,25,26,27)
InChIKey LTDJMUWIZRBDNP-UHFFFAOYSA-N
Molecular Weight 435.263 g/mol
SMILES N1C(NC(C(C1=O)=CC=1C=C(OCC)C(OCC2=C(Cl)C=CC=C2Cl)=CC1)=O)=O