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(3-benzoyl-1,1-diketo-2,3-diphenyl-thiiran-2-yl)-phenyl-methanone
SpectraBase Compound ID 5VIGVQlUMUo
InChI InChI=1S/C28H20O4S/c29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)28(33(27,31)32,24-19-11-4-12-20-24)26(30)22-15-7-2-8-16-22/h1-20H
InChIKey RHISAXAFLNJXAT-UHFFFAOYSA-N
Mol Weight 452.52 g/mol
Molecular Formula C28H20O4S
Exact Mass 452.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoJirF3iv0D
Name (3-benzoyl-1,1-diketo-2,3-diphenyl-thiiran-2-yl)-phenyl-methanone
Alternate Name(s) (3-benzoyl-1,1-dioxo-2,3-diphenyl-2-thiiranyl)-phenylmethanone (3-benzoyl-1,1-dioxo-2,3-diphenyl-thiiran-2-yl)-phenyl-methanone [1,1-bis(oxidanylidene)-2,3-diphenyl-3-(phenylcarbonyl)thiiran-2-yl]-phenyl-methanone
CAS Registry Number 989-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20O4S
InChI InChI=1S/C28H20O4S/c29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)28(33(27,31)32,24-19-11-4-12-20-24)26(30)22-15-7-2-8-16-22/h1-20H
InChIKey RHISAXAFLNJXAT-UHFFFAOYSA-N
Molecular Weight 452.524 g/mol
SMILES C(=O)(C1(C(C(=O)c2ccccc2)(c2ccccc2)S1(=O)=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-1900000000-d2d10251d35a47061e7f
Source of Spectrum J-9-2727-12
Wiley ID 1388331