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S,S'-(1,4-Dioxo-1,4-diphenylbutane-2,3-diyl) bis(4-methylbenzenecarbothioate)
SpectraBase Compound ID 1sOZIKbFrMp
InChI InChI=1S/C32H26O4S2/c1-21-13-17-25(18-14-21)31(35)37-29(27(33)23-9-5-3-6-10-23)30(28(34)24-11-7-4-8-12-24)38-32(36)26-19-15-22(2)16-20-26/h3-20,29-30H,1-2H3
InChIKey KXZJBJGQPDIMHI-UHFFFAOYSA-N
Mol Weight 538.7 g/mol
Molecular Formula C32H26O4S2
Exact Mass 538.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqS8A2XaV5L
Name S,S'-(1,4-Dioxo-1,4-diphenylbutane-2,3-diyl) bis(4-methylbenzenecarbothioate)
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O4S2
InChI InChI=1S/C32H26O4S2/c1-21-13-17-25(18-14-21)31(35)37-29(27(33)23-9-5-3-6-10-23)30(28(34)24-11-7-4-8-12-24)38-32(36)26-19-15-22(2)16-20-26/h3-20,29-30H,1-2H3
InChIKey KXZJBJGQPDIMHI-UHFFFAOYSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.d06
Molecular Weight 538.676 g/mol
SMILES c1c(ccc(c1)C)C(=O)SC(C(SC(c1ccc(cc1)C)=O)C(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-00kr-7769080000-e9b491da3cbe265900f1
Source of Spectrum ARK-2009-75-16b
Wiley ID 1869878