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3-[BIS-(2-OXO-2-PHENYLTHIO)-METHYLENE]-3H-ISOBENZOFURAN-1-ONE
SpectraBase Compound ID BZx4QMBqH5u
InChI InChI=1S/C25H18O4S2/c26-21(17-9-3-1-4-10-17)15-30-25(31-16-22(27)18-11-5-2-6-12-18)23-19-13-7-8-14-20(19)24(28)29-23/h1-14H,15-16H2
InChIKey KCZLNNGAABCATQ-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C25H18O4S2
Exact Mass 446.064651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sMZlOLM5AU
Name 3-[BIS-(2-OXO-2-PHENYLTHIO)-METHYLENE]-3H-ISOBENZOFURAN-1-ONE
Compound Number 2D
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Formula C25H18O4S2
InChI InChI=1S/C25H18O4S2/c26-21(17-9-3-1-4-10-17)15-30-25(31-16-22(27)18-11-5-2-6-12-18)23-19-13-7-8-14-20(19)24(28)29-23/h1-14H,15-16H2
InChIKey KCZLNNGAABCATQ-UHFFFAOYSA-N
Literature Reference Author T.GILDENAST,W.DOELLING
Literature Reference Citation MH.CHEM.,128,371(1997)
Literature Reference DOI 10.1007/BF00810773
Molecular Weight 446.536 g/mol
Solvent Unknown
Source File Reference UWCS15904