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5-[1'-(4-METHYLBENZOYL)-2'-BENZOYL-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
SpectraBase Compound ID I2H4OUn2xZl
InChI InChI=1S/C21H18N2O4S/c1-12-7-9-14(10-8-12)18(25)15(11-16(24)13-5-3-2-4-6-13)17-19(26)22-21(28)23-20(17)27/h2-10,15,17H,11H2,1H3,(H2,22,23,26,27,28)
InChIKey GTTZRTCHMQGDJK-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C21H18N2O4S
Exact Mass 394.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1ASR6QXFdx
Name 5-[1'-(4-METHYLBENZOYL)-2'-BENZOYL-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4S
InChI InChI=1S/C21H18N2O4S/c1-12-7-9-14(10-8-12)18(25)15(11-16(24)13-5-3-2-4-6-13)17-19(26)22-21(28)23-20(17)27/h2-10,15,17H,11H2,1H3,(H2,22,23,26,27,28)
InChIKey GTTZRTCHMQGDJK-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 394.445 g/mol
Sample ID 1600
Solvent CDCl3