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Methyl 2,4-Dimethyl-6-[(4-methylphenyl)sulfanyl]-3-(phenylselanyl)benzoate
SpectraBase Compound ID 85iQMzTNjJ
InChI InChI=1S/C23H22O2SSe/c1-15-10-12-18(13-11-15)26-20-14-16(2)22(17(3)21(20)23(24)25-4)27-19-8-6-5-7-9-19/h5-14H,1-4H3
InChIKey IPRXPLBMZSVFNV-UHFFFAOYSA-N
Mol Weight 441.46 g/mol
Molecular Formula C23H22O2SSe
Exact Mass 442.050573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8DmGv0F9Ii
Name Methyl 2,4-Dimethyl-6-[(4-methylphenyl)sulfanyl]-3-(phenylselanyl)benzoate
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Formula C23H22O2SSe
InChI InChI=1S/C23H22O2SSe/c1-15-10-12-18(13-11-15)26-20-14-16(2)22(17(3)21(20)23(24)25-4)27-19-8-6-5-7-9-19/h5-14H,1-4H3
InChIKey IPRXPLBMZSVFNV-UHFFFAOYSA-N
Molecular Weight 441.459 g/mol
SMILES C(c1c(c(c(cc1Sc1ccc(cc1)C)C)[Se]c1ccccc1)C)(=O)OC
SPLASH splash10-05tf-0090400000-d2f6ad9a6bdee8fffb09
Source of Spectrum H-93-1782-5d
Synonyms Methyl 2,4-dimethyl-3-(phenylselanyl)-6-(p-tolylthio)benzoate
Wiley ID 1784138