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5-[1'-(4-CHLOROBENZOYL)-2'-BENZOYL-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
SpectraBase Compound ID 6OOg6nHDO6X
InChI InChI=1S/C20H15ClN2O4S/c21-13-8-6-12(7-9-13)17(25)14(10-15(24)11-4-2-1-3-5-11)16-18(26)22-20(28)23-19(16)27/h1-9,14,16H,10H2,(H2,22,23,26,27,28)
InChIKey NQQNCSKHFBGWEE-UHFFFAOYSA-N
Mol Weight 414.86 g/mol
Molecular Formula C20H15ClN2O4S
Exact Mass 414.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRolNnHIDOm
Name 5-[1'-(4-CHLOROBENZOYL)-2'-BENZOYL-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClN2O4S
InChI InChI=1S/C20H15ClN2O4S/c21-13-8-6-12(7-9-13)17(25)14(10-15(24)11-4-2-1-3-5-11)16-18(26)22-20(28)23-19(16)27/h1-9,14,16H,10H2,(H2,22,23,26,27,28)
InChIKey NQQNCSKHFBGWEE-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 414.863 g/mol
Sample ID 1601
Solvent CDCl3