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ethanoic acid, [(2Z)-4-oxo-3-phenyl-2-[(phenylsulfonyl)imino]thiazolidinylidene]-, methyl ester, (2Z)-
SpectraBase Compound ID 8pWDEZpY1gb
InChI InChI=1S/C18H14N2O5S2/c1-25-16(21)12-15-17(22)20(13-8-4-2-5-9-13)18(26-15)19-27(23,24)14-10-6-3-7-11-14/h2-12H,1H3/b15-12-,19-18-
InChIKey XJTJYBPYQPVUAR-MOQVJWAZSA-N
Mol Weight 402.44 g/mol
Molecular Formula C18H14N2O5S2
Exact Mass 402.034414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ca0Exa2ZLIZ
Name Ethanoic acid, [(2Z)-4-oxo-3-phenyl-2-[(phenylsulfonyl)imino]thiazolidinylidene]-, methyl ester, (2Z)-
Comments Computed using HOSE algorithm
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Exact Mass 402.034413902 u
Formula C18H14N2O5S2
InChI InChI=1S/C18H14N2O5S2/c1-25-16(21)12-15-17(22)20(13-8-4-2-5-9-13)18(26-15)19-27(23,24)14-10-6-3-7-11-14/h2-12H,1H3/b15-12-,19-18-
InChIKey XJTJYBPYQPVUAR-MOQVJWAZSA-N
Molecular Weight 402.439 g/mol
SMILES C1(N(\C(S\C1=C\C(=O)OC)=N\S(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1)=O