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METHYL-2-[4-IMINO-2-OXO-3-(2-ETHYLACETATE)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
SpectraBase Compound ID Eb39HlLLM43
InChI InChI=1S/C15H15N3O5S/c1-3-23-11(19)8-17-12(16)13(24)18(15(17)21)10-7-5-4-6-9(10)14(20)22-2/h4-7,16H,3,8H2,1-2H3
InChIKey XKSFIBJRXNYENU-UHFFFAOYSA-N
Mol Weight 349.36 g/mol
Molecular Formula C15H15N3O5S
Exact Mass 349.073242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8c0JzYeltua
Name METHYL-2-[4-IMINO-2-OXO-3-(2-ETHYLACETATE)-5-THIOXO-IMIDAZOLIDIN-1-YL]-BENZOATE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15N3O5S
InChI InChI=1S/C15H15N3O5S/c1-3-23-11(19)8-17-12(16)13(24)18(15(17)21)10-7-5-4-6-9(10)14(20)22-2/h4-7,16H,3,8H2,1-2H3
InChIKey XKSFIBJRXNYENU-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 349.361 g/mol
Solvent DMSO-D6
Source File Reference UWMS22833