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Methyl 2,4,5-Trimethyl-6-[(4-methylphenyl)sulfanyl]-3-(phenylselanyl)benzoate
SpectraBase Compound ID IleV2nEDTwD
InChI InChI=1S/C24H24O2SSe/c1-15-11-13-19(14-12-15)27-22-16(2)17(3)23(18(4)21(22)24(25)26-5)28-20-9-7-6-8-10-20/h6-14H,1-5H3
InChIKey DCNWTWKXCMXSQY-UHFFFAOYSA-N
Mol Weight 455.49 g/mol
Molecular Formula C24H24O2SSe
Exact Mass 456.066223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgYygSupkcu
Name Methyl 2,4,5-Trimethyl-6-[(4-methylphenyl)sulfanyl]-3-(phenylselanyl)benzoate
Alternate Name(s) Methyl 2,4,5-trimethyl-3-(phenylselanyl)-6-(p-tolylthio)benzoate
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Formula C24H24O2SSe
InChI InChI=1S/C24H24O2SSe/c1-15-11-13-19(14-12-15)27-22-16(2)17(3)23(18(4)21(22)24(25)26-5)28-20-9-7-6-8-10-20/h6-14H,1-5H3
InChIKey DCNWTWKXCMXSQY-UHFFFAOYSA-N
Molecular Weight 455.486 g/mol
SMILES C(=O)(OC)c1c(c(c(c(c1Sc1ccc(cc1)C)C)C)[Se]c1ccccc1)C
SPLASH splash10-0a4i-0090400000-332383e27fd80217ec30
Source of Spectrum H-93-1782-5f
Wiley ID 1784140