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METHYL-2-[4-IMINO-2-OXO-3-(4-FLUOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
SpectraBase Compound ID 7KegRLROuOc
InChI InChI=1S/C17H12FN3O3S/c1-24-16(22)12-4-2-3-5-13(12)21-15(25)14(19)20(17(21)23)11-8-6-10(18)7-9-11/h2-9,19H,1H3
InChIKey NXQQARSCSFAHRH-UHFFFAOYSA-N
Mol Weight 357.36 g/mol
Molecular Formula C17H12FN3O3S
Exact Mass 357.058341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0oxQ1Y8TVU
Name METHYL-2-[4-IMINO-2-OXO-3-(4-FLUOROPHENYL)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12FN3O3S
InChI InChI=1S/C17H12FN3O3S/c1-24-16(22)12-4-2-3-5-13(12)21-15(25)14(19)20(17(21)23)11-8-6-10(18)7-9-11/h2-9,19H,1H3
InChIKey NXQQARSCSFAHRH-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 357.359 g/mol
Solvent DMSO-D6
Source File Reference UWMS22835