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5-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
SpectraBase Compound ID 1zBTFNFU8C0
InChI InChI=1S/C21H17ClN2O4S/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 NXYLXBLOGMDIQP-UHFFFAOYSA-N
Mol Weight 428.89 g/mol
Molecular Formula C21H17ClN2O4S
Exact Mass 428.059756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RsGPxQCLZz
Name 5-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-2-THIOXO-PYRIMIDINE-4,6-DIONE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O4S
InChI InChI=1S/C21H17ClN2O4S/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 NXYLXBLOGMDIQP-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 428.890 g/mol
Sample ID 1602
Solvent CDCl3