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3-(4-Dibenzothiophenyl)-3H-isobenzofuran-1-one
SpectraBase Compound ID CzywX0n5Jki
InChI InChI=1S/C20H12O2S/c21-20-15-8-2-1-7-13(15)18(22-20)16-10-5-9-14-12-6-3-4-11-17(12)23-19(14)16/h1-11,18H
InChIKey UQHGWXJNNAIQLN-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C20H12O2S
Exact Mass 316.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Pr8y7DjfGw
Name 3-(4-Dibenzothiophenyl)-3H-isobenzofuran-1-one
CAS Registry Number 87643-01-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O2S
InChI InChI=1S/C20H12O2S/c21-20-15-8-2-1-7-13(15)18(22-20)16-10-5-9-14-12-6-3-4-11-17(12)23-19(14)16/h1-11,18H
InChIKey UQHGWXJNNAIQLN-UHFFFAOYSA-N
Molecular Weight 316.374 g/mol
SMILES c12sc3ccccc3c2cccc1C1OC(=O)c2c1cccc2
SPLASH splash10-01b9-0249000000-f888545d3e804d18831d
Source of Spectrum Y-20-865-0
Synonyms 3-Dibenzothiophen-4-yl-3H-2-benzofuran-1-one 3-Dibenzothiophen-4-yl-3H-isobenzofuran-1-one 3-Dibenzothiophen-4-ylphthalide
Wiley ID 1316972