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3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide
SpectraBase Compound ID BgS1JAlyFaf
InChI InChI=1S/C27H20O3S/c28-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(31(29)30-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey CIFDPSYRKUSXHV-UHFFFAOYSA-N
Mol Weight 424.51 g/mol
Molecular Formula C27H20O3S
Exact Mass 424.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3KvhIaEgLe
Name 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide
CAS Registry Number 71816-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O3S
InChI InChI=1S/C27H20O3S/c28-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(31(29)30-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey CIFDPSYRKUSXHV-UHFFFAOYSA-N
Molecular Weight 424.514 g/mol
SMILES c1ccc(cc1)C1(c2ccccc2)C(=O)OS(C1(c1ccccc1)c1ccccc1)=O
SPLASH splash10-001i-0549000000-89a17220c687309f617b
Source of Spectrum J-45-4365-0
Synonyms 2-keto-3,3,4,4-tetraphenyl-oxathiolan-5-one 2-Oxidanylidene-3,3,4,4-tetraphenyl-1,2-oxathiolan-5-one 2-Oxo-3,3,4,4-tetraphenyl-5-oxathiolanone 2-Oxo-3,3,4,4-tetraphenyl-oxathiolan-5-one
Wiley ID 1379408