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Methyl 6-[(3-Chlorophenyl)sulfanyl]-2,4-dimethyl-3-(phenylselanyl)benzoate
SpectraBase Compound ID FHhlTZ3FoRr
InChI InChI=1S/C22H19ClO2SSe/c1-14-12-19(26-17-9-7-8-16(23)13-17)20(22(24)25-3)15(2)21(14)27-18-10-5-4-6-11-18/h4-13H,1-3H3
InChIKey HYNYAYLXDNUTLY-UHFFFAOYSA-N
Mol Weight 461.88 g/mol
Molecular Formula C22H19ClO2SSe
Exact Mass 461.995951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ih3419sEy
Name Methyl 6-[(3-Chlorophenyl)sulfanyl]-2,4-dimethyl-3-(phenylselanyl)benzoate
Alternate Name(s) Methyl 6-((3-chlorophenyl)thio)-2,4-dimethyl-3-(phenylselanyl)benzoate
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Formula C22H19ClO2SSe
InChI InChI=1S/C22H19ClO2SSe/c1-14-12-19(26-17-9-7-8-16(23)13-17)20(22(24)25-3)15(2)21(14)27-18-10-5-4-6-11-18/h4-13H,1-3H3
InChIKey HYNYAYLXDNUTLY-UHFFFAOYSA-N
Molecular Weight 461.877 g/mol
SMILES C(c1c(c(c(cc1Sc1cccc(c1)Cl)C)[Se]c1ccccc1)C)(=O)OC
SPLASH splash10-044i-0090500000-c1bb707ec13296bb1c23
Source of Spectrum H-93-1782-5c
Wiley ID 1784137