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5-[1',2'-DI-(4-CHLOROBENZOYL)-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
SpectraBase Compound ID AgoWsztiv00
InChI InChI=1S/C20H14Cl2N2O4S/c21-12-5-1-10(2-6-12)15(25)9-14(16-18(27)23-20(29)24-19(16)28)17(26)11-3-7-13(22)8-4-11/h1-8,14,16H,9H2,(H2,23,24,27,28,29)
InChIKey XGVKFQLMJKVTQL-UHFFFAOYSA-N
Mol Weight 449.31 g/mol
Molecular Formula C20H14Cl2N2O4S
Exact Mass 448.005134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZ8XyWkqIWC
Name 5-[1',2'-DI-(4-CHLOROBENZOYL)-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14Cl2N2O4S
InChI InChI=1S/C20H14Cl2N2O4S/c21-12-5-1-10(2-6-12)15(25)9-14(16-18(27)23-20(29)24-19(16)28)17(26)11-3-7-13(22)8-4-11/h1-8,14,16H,9H2,(H2,23,24,27,28,29)
InChIKey XGVKFQLMJKVTQL-UHFFFAOYSA-N
Literature Reference Author A.PADMAJA,G.S.REDDY,A.V.N.MOHAN,V.PADMAVATHI
Literature Reference Citation CHEM.PHARM.BULL.,56,647(2008)
Literature Reference DOI 10.1248/cpb.56.647
Molecular Weight 449.308 g/mol
Sample ID 1599
Solvent CDCl3