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phenyl-(2,5,6-tribenzoyl-4-sulfanylidene-3-thiopyranyl)methanone
SpectraBase Compound ID 1CE8f4Nv9nK
InChI InChI=1S/C33H20O4S2/c34-27(21-13-5-1-6-14-21)25-31(38)26(28(35)22-15-7-2-8-16-22)33(30(37)24-19-11-4-12-20-24)39-32(25)29(36)23-17-9-3-10-18-23/h1-20H
InChIKey LKNDOWGIHGPPIB-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C33H20O4S2
Exact Mass 544.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWoHKLBnsg5
Name phenyl-(2,5,6-tribenzoyl-4-sulfanylidene-3-thiopyranyl)methanone
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Formula C33H20O4S2
InChI InChI=1S/C33H20O4S2/c34-27(21-13-5-1-6-14-21)25-31(38)26(28(35)22-15-7-2-8-16-22)33(30(37)24-19-11-4-12-20-24)39-32(25)29(36)23-17-9-3-10-18-23/h1-20H
InChIKey LKNDOWGIHGPPIB-UHFFFAOYSA-N
Molecular Weight 544.639 g/mol
SMILES C1(=C(SC(=C(C1=S)C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-004l-8100290000-d051c78c847ccba1a258
Source of Spectrum KC-0-1469-4
Synonyms phenyl-(2,5,6-tribenzoyl-4-sulfanylidenethiopyran-3-yl)methanone phenyl-(2,5,6-tribenzoyl-4-thioxo-thiopyran-3-yl)methanone phenyl-[2,5,6-tris(phenylcarbonyl)-4-sulfanylidene-thiopyran-3-yl]methanone
Wiley ID 830989