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5-[1',2'-DI-(4-METHYLBENZOYL)-ETHYL]-PYRIMIDINE-2,4,6-TRIONE
SpectraBase Compound ID AqGmCzMXUas
InChI InChI=1S/C22H20N2O5/c1-12-3-7-14(8-4-12)17(25)11-16(18-20(27)23-22(29)24-21(18)28)19(26)15-9-5-13(2)6-10-15/h3-10,16,18H,11H2,1-2H3,(H2,23,24,27,28,29)
InChIKey INNDWCPEBICQAO-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap2elaCghNz
Name 5-[1',2'-DI-(4-METHYLBENZOYL)-ETHYL]-PYRIMIDINE-2,4,6-TRIONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-12-3-7-14(8-4-12)17(25)11-16(18-20(27)23-22(29)24-21(18)28)19(26)15-9-5-13(2)6-10-15/h3-10,16,18H,11H2,1-2H3,(H2,23,24,27,28,29)
InChIKey INNDWCPEBICQAO-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 392.411 g/mol
Sample ID 1586
Solvent CDCl3