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5-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-PYRIMIDINE-2,4,6-TRIONE
SpectraBase Compound ID CKum3NQ3FpP
InChI InChI=1S/C21H17ClN2O5/c1-11-2-4-12(5-3-11)16(25)10-15(17-19(27)23-21(29)24-20(17)28)18(26)13-6-8-14(22)9-7-13/h2-9,15,17H,10H2,1H3,(H2,23,24,27,28,29)
InChIKey LMYQZAVOARAHSP-UHFFFAOYSA-N
Mol Weight 412.83 g/mol
Molecular Formula C21H17ClN2O5
Exact Mass 412.082599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXqGFD8eA0g
Name 5-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-PYRIMIDINE-2,4,6-TRIONE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O5
InChI InChI=1S/C21H17ClN2O5/c1-11-2-4-12(5-3-11)16(25)10-15(17-19(27)23-21(29)24-20(17)28)18(26)13-6-8-14(22)9-7-13/h2-9,15,17H,10H2,1H3,(H2,23,24,27,28,29)
InChIKey LMYQZAVOARAHSP-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 412.829 g/mol
Sample ID 1590
Solvent CDCl3