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thio-p-toluenesulfonic acid, S-(p-chlorophenyl)ester
SpectraBase Compound ID KTfh75hIT8B
InChI InChI=1S/C13H11ClO2S2/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
InChIKey JOKLJJIIKWGHLO-UHFFFAOYSA-N
Mol Weight 298.8 g/mol
Molecular Formula C13H11ClO2S2
Exact Mass 297.9889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BF5aOvIHWa
Name Benzenesulfonothioic acid, 4-methyl-, S-(4-chlorophenyl) ester
CAS Registry Number 28823-18-9
Comments Less than 3 mono-isotopic peaks
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Formula C13H11ClO2S2
InChI InChI=1S/C13H11ClO2S2/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
InChIKey JOKLJJIIKWGHLO-UHFFFAOYSA-N
Molecular Weight 298.802 g/mol
SMILES c1(SS(c2ccc(cc2)C)(=O)=O)ccc(cc1)Cl
SPLASH splash10-000i-0910000000-a4b5947f39892d4ce15a
Source of Spectrum F-37-43-0
Synonyms p-Chlorophenyl p-toluenethiolsulfonate p-Toluenesulfonic acid, thio-, S-(p-chlorophenyl) ester p-Tolyl-p-chlorobenzenethiolsulfonate S-(4-chlorophenyl) 4-methylbenzenesulfonothioate 1-[(4-chlorophenyl)thio]sulfonyl-4-methylbenzene 1-(4-chlorophenyl)sulfanylsulfonyl-4-methylbenzene 1-(4-chlorophenyl)sulfanylsulfonyl-4-methyl-benzene
Wiley ID 1300570