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1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)thio]-3-phenyl-
SpectraBase Compound ID ImHs0JJrXwN
InChI InChI=1S/C21H16O2S/c1-15-11-13-17(14-12-15)24-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20(22)23-21/h2-14H,1H3
InChIKey WWDRNMORZGROAQ-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C21H16O2S
Exact Mass 332.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGLMHt399Aw
Name 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)thio]-3-phenyl-
Alternate Name(s) 3-(4-Methylphenyl)sulfanyl-3-phenyl-2-benzofuran-1-one 3-Phenyl-3-(p-tolylsulfanyl)isobenzofuran-1-one 3-Phenyl-3-(p-tolylthio)phthalide 3-[(4-methylphenyl)thio]-3-phenyl-1-isobenzofuranone
CAS Registry Number 61613-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2S
InChI InChI=1S/C21H16O2S/c1-15-11-13-17(14-12-15)24-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20(22)23-21/h2-14H,1H3
InChIKey WWDRNMORZGROAQ-UHFFFAOYSA-N
Molecular Weight 332.417 g/mol
SMILES C1(OC(=O)c2c1cccc2)(Sc1ccc(cc1)C)c1ccccc1
SPLASH splash10-0a4i-0190000000-e0bb4266858a9af9686e
Source of Spectrum K-109-3924-0
Wiley ID 1329653