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METHYL-2-[2,4-DIOXO-3-(2-CHLOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
SpectraBase Compound ID BTTH3wf3VL0
InChI InChI=1S/2C17H11ClN2O4S/c2*1-24-16(22)10-6-2-4-8-12(10)20-15(25)14(21)19(17(20)23)13-9-5-3-7-11(13)18/h2*2-9H,1H3
InChIKey IXPFYBALQWJXGX-UHFFFAOYSA-N
Mol Weight 749.6 g/mol
Molecular Formula C34H22Cl2N4O8S2
Exact Mass 748.025611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9bpYa7qAh5
Name METHYL-2-[2,4-DIOXO-3-(2-CHLOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H22Cl2N4O8S2
InChI InChI=1S/2C17H11ClN2O4S/c2*1-24-16(22)10-6-2-4-8-12(10)20-15(25)14(21)19(17(20)23)13-9-5-3-7-11(13)18/h2*2-9H,1H3
InChIKey IXPFYBALQWJXGX-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 749.597 g/mol
Solvent DMSO-D6
Source File Reference UWMS22839