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Thiazolidine-4,5-dione, 2-[2-(4-methylphenyl)-2-oxoethylidene]-3-phenyl-
SpectraBase Compound ID EkHx1HwHUbX
InChI InChI=1S/C18H13NO3S/c1-12-7-9-13(10-8-12)15(20)11-16-19(17(21)18(22)23-16)14-5-3-2-4-6-14/h2-11H,1H3/b16-11-
InChIKey PNYVJSIYRZRGSC-WJDWOHSUSA-N
Mol Weight 323.37 g/mol
Molecular Formula C18H13NO3S
Exact Mass 323.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QxGzfe8KE
Name Thiazolidine-4,5-dione, 2-[2-(4-methylphenyl)-2-oxoethylidene]-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.061614454 u
Formula C18H13NO3S
InChI InChI=1S/C18H13NO3S/c1-12-7-9-13(10-8-12)15(20)11-16-19(17(21)18(22)23-16)14-5-3-2-4-6-14/h2-11H,1H3/b16-11-
InChIKey PNYVJSIYRZRGSC-WJDWOHSUSA-N
Molecular Weight 323.366 g/mol
SMILES C1(N(\C(SC1=O)=C\C(C1=CC=C(C)C=C1)=O)C=1C=CC=CC1)=O