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6-IMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-1,3-DIMETHYLPYRIMIDINE-2,4-DIONE

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6-IMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-1,3-DIMETHYLPYRIMIDINE-2,4-DIONE
SpectraBase Compound ID BaMisk5D9Sv
InChI InChI=1S/C21H21Cl2N3O4S/c1-25-19(24)18(20(27)26(2)21(25)28)17(14-5-9-16(23)10-6-14)12-31(29,30)11-13-3-7-15(22)8-4-13/h3-10,17-18,24H,11-12H2,1-2H3
InChIKey YDAFBBKLHYTRRF-UHFFFAOYSA-N
Mol Weight 482.38 g/mol
Molecular Formula C21H21Cl2N3O4S
Exact Mass 481.062983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6fSqFghHAr
Name 6-IMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-1,3-DIMETHYLPYRIMIDINE-2,4-DIONE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21Cl2N3O4S
InChI InChI=1S/C21H21Cl2N3O4S/c1-25-19(24)18(20(27)26(2)21(25)28)17(14-5-9-16(23)10-6-14)12-31(29,30)11-13-3-7-15(22)8-4-13/h3-10,17-18,24H,11-12H2,1-2H3
InChIKey YDAFBBKLHYTRRF-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,D.R.C.V.SUBBAIAH,K.MAHESH,T.R.LAKSHMI
Literature Reference Citation CHEM.PHARM.BULL.,55,1704(2007)
Literature Reference DOI 10.1248/cpb.55.1704
Molecular Weight 482.381 g/mol
Sample ID 56033
Solvent CDCl3:DMSO-D6