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Methyl 2-[(4-Chlorophenyl)sulfanyl]-3,4,6-trimethyl-5-(phenylselanyl)benzoate
SpectraBase Compound ID 4bJcv5Tepha
InChI InChI=1S/C23H21ClO2SSe/c1-14-15(2)22(28-19-8-6-5-7-9-19)16(3)20(23(25)26-4)21(14)27-18-12-10-17(24)11-13-18/h5-13H,1-4H3
InChIKey JRVNIPYKLLFFOL-UHFFFAOYSA-N
Mol Weight 475.9 g/mol
Molecular Formula C23H21ClO2SSe
Exact Mass 476.011601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQ0Zv8VXSFd
Name Methyl 2-[(4-Chlorophenyl)sulfanyl]-3,4,6-trimethyl-5-(phenylselanyl)benzoate
Alternate Name(s) Methyl 2-((4-chlorophenyl)thio)-3,4,6-trimethyl-5-(phenylselanyl)benzoate
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Formula C23H21ClO2SSe
InChI InChI=1S/C23H21ClO2SSe/c1-14-15(2)22(28-19-8-6-5-7-9-19)16(3)20(23(25)26-4)21(14)27-18-12-10-17(24)11-13-18/h5-13H,1-4H3
InChIKey JRVNIPYKLLFFOL-UHFFFAOYSA-N
Molecular Weight 475.904 g/mol
SMILES C(=O)(OC)c1c(c(c(c(c1Sc1ccc(cc1)Cl)C)C)[Se]c1ccccc1)C
SPLASH splash10-00or-0090500000-a74cd0bf63e13ddbd061
Source of Spectrum H-93-1782-5b
Wiley ID 1784136