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S,S'-(1,4-Dioxo-1,4-diphenylbutane-2,3-diyl) dibenzenecarbothioate
SpectraBase Compound ID 5G1cNhPX12s
InChI InChI=1S/C30H22O4S2/c31-25(21-13-5-1-6-14-21)27(35-29(33)23-17-9-3-10-18-23)28(26(32)22-15-7-2-8-16-22)36-30(34)24-19-11-4-12-20-24/h1-20,27-28H
InChIKey WAHPCFMHMUGGBZ-UHFFFAOYSA-N
Mol Weight 510.62 g/mol
Molecular Formula C30H22O4S2
Exact Mass 510.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEZZltRCBeg
Name S,S'-(1,4-Dioxo-1,4-diphenylbutane-2,3-diyl) dibenzenecarbothioate
Appearance Colorless powder
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Formula C30H22O4S2
InChI InChI=1S/C30H22O4S2/c31-25(21-13-5-1-6-14-21)27(35-29(33)23-17-9-3-10-18-23)28(26(32)22-15-7-2-8-16-22)36-30(34)24-19-11-4-12-20-24/h1-20,27-28H
InChIKey WAHPCFMHMUGGBZ-UHFFFAOYSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.d06
Molecular Weight 510.622 g/mol
SMILES c1c(cccc1)C(=O)SC(C(SC(c1ccccc1)=O)C(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-08or-5388090000-167cb48882e068e5014f
Source of Spectrum ARK-2009-75-16a
Wiley ID 1869877