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METHYL-2-[4-IMINO-2-OXO-3-(2-CHLOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
SpectraBase Compound ID ILnobTndcvF
InChI InChI=1S/2C17H12ClN3O3S/c2*1-24-16(22)10-6-2-4-8-12(10)21-15(25)14(19)20(17(21)23)13-9-5-3-7-11(13)18/h2*2-9,19H,1H3
InChIKey XZVYJYFRQDYLEM-UHFFFAOYSA-N
Mol Weight 747.63 g/mol
Molecular Formula C34H24Cl2N6O6S2
Exact Mass 746.05758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9Mrkkq6wNT
Name METHYL-2-[4-IMINO-2-OXO-3-(2-CHLOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H24Cl2N6O6S2
InChI InChI=1S/2C17H12ClN3O3S/c2*1-24-16(22)10-6-2-4-8-12(10)21-15(25)14(19)20(17(21)23)13-9-5-3-7-11(13)18/h2*2-9,19H,1H3
InChIKey XZVYJYFRQDYLEM-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 747.627 g/mol
Solvent DMSO-D6
Source File Reference UWMS22831