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5,5-DIMETHYL-2-[(1-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YLAMINO)-METHYLENE]-CYCLOHEXANE-1,3-DIONE
SpectraBase Compound ID HBZSFjiwmKA
InChI InChI=1S/C15H19N3O3S/c1-15(2)6-10(19)9(11(20)7-15)8-16-12-5-13(21)18(3)14(17-12)22-4/h5,8,16H,6-7H2,1-4H3
InChIKey GZKDPCUYQZHMQX-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C15H19N3O3S
Exact Mass 321.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbRviKIXFzH
Name 5,5-DIMETHYL-2-[(1-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YLAMINO)-METHYLENE]-CYCLOHEXANE-1,3-DIONE
Compound Number 5'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19N3O3S
InChI InChI=1S/C15H19N3O3S/c1-15(2)6-10(19)9(11(20)7-15)8-16-12-5-13(21)18(3)14(17-12)22-4/h5,8,16H,6-7H2,1-4H3
InChIKey GZKDPCUYQZHMQX-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,C.CISNEROS,B.INSUASTY,R.ABONIA,M.NOGUERAS,M.SORTIN O,S.ZACCHINO
Literature Reference Citation J.HETCYCL.CHEM.,43,463(2006)
Literature Reference DOI 10.1002/jhet.5570430231
Molecular Weight 321.394 g/mol
Sample ID 67341
Solvent DMSO-D6