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METHYL-2-[2,4-DIOXO-3-(2-METHYLPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE

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METHYL-2-[2,4-DIOXO-3-(2-METHYLPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
SpectraBase Compound ID ASUPxGLVdXi
InChI InChI=1S/2C18H14N2O4S/c2*1-11-7-3-5-9-13(11)19-15(21)16(25)20(18(19)23)14-10-6-4-8-12(14)17(22)24-2/h2*3-10H,1-2H3
InChIKey FHKNFGMNBOSCBG-UHFFFAOYSA-N
Mol Weight 708.76 g/mol
Molecular Formula C36H28N4O8S2
Exact Mass 708.134856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ApL01Mqxfn
Name METHYL-2-[2,4-DIOXO-3-(2-METHYLPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N4O8S2
InChI InChI=1S/2C18H14N2O4S/c2*1-11-7-3-5-9-13(11)19-15(21)16(25)20(18(19)23)14-10-6-4-8-12(14)17(22)24-2/h2*3-10H,1-2H3
InChIKey FHKNFGMNBOSCBG-UHFFFAOYSA-N
Literature Reference Author L.M.DECK,E.P.PAPADOPOULOS,K.A.SMITH
Literature Reference Citation J.HETCYCL.CHEM.,40,885(2003)
Literature Reference DOI 10.1002/jhet.5570400522
Molecular Weight 708.760 g/mol
Solvent DMSO-D6
Source File Reference UWMS22837