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2,4-Diphenyl-1,3-dithietane-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 6xUw4Z8dio7
InChI InChI=1S/C20H20O4S2/c1-3-23-17(21)19(15-11-7-5-8-12-15)25-20(26-19,18(22)24-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey DPAGRMHCUQHTMH-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C20H20O4S2
Exact Mass 388.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKl1pPoksXx
Name 2,4-Diphenyl-1,3-dithietane-2,4-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
CAS Registry Number 55970-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4S2
InChI InChI=1S/C20H20O4S2/c1-3-23-17(21)19(15-11-7-5-8-12-15)25-20(26-19,18(22)24-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey DPAGRMHCUQHTMH-UHFFFAOYSA-N
Molecular Weight 388.496 g/mol
SMILES CCOC(=O)C1(SC(C(OCC)=O)(c2ccccc2)S1)c1ccccc1
SPLASH splash10-00xr-0904000000-e4e9d9d34eae2fdd792c
Source of Spectrum J-44-1737-0
Wiley ID 1363701