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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KOCq7b8PhI
Name 3-[bis(Benzoylmethylthio)methylene]-3H-isobenzofuran-1-one
Alternate Name(s) 3-{bis[(2-oxo-2-phenylethyl)sulfanyl]methylene}-2-benzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 446.535 g/mol
SMILES C1(OC(=O)c2c1cccc2)=C(SCC(=O)c1ccccc1)SCC(=O)c1ccccc1
SPLASH splash10-0a6r-6930000000-567e49bd49f5f9d3eedd
Source of Spectrum AH-128-376-2
Wiley ID 1386630