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2,4,6-Trimethyl-benzenesulfonic acid pentachlorophenyl ester
SpectraBase Compound ID 8mrQF2GZEIS
InChI InChI=1S/C15H11Cl5O3S/c1-6-4-7(2)15(8(3)5-6)24(21,22)23-14-12(19)10(17)9(16)11(18)13(14)20/h4-5H,1-3H3
InChIKey ZGHMXYRZAQRWJN-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C15H11Cl5O3S
Exact Mass 445.887154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ha4MdjMZFF
Name 2,4,6-Trimethyl-benzenesulfonic acid pentachlorophenyl ester
Alternate Name(s) 2,4,6-trimethylbenzenesulfonic acid (2,3,4,5,6-pentachlorophenyl) ester (2,3,4,5,6-pentachlorophenyl) 2,4,6-trimethylbenzenesulfonate
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Formula C15H11Cl5O3S
InChI InChI=1S/C15H11Cl5O3S/c1-6-4-7(2)15(8(3)5-6)24(21,22)23-14-12(19)10(17)9(16)11(18)13(14)20/h4-5H,1-3H3
InChIKey ZGHMXYRZAQRWJN-UHFFFAOYSA-N
Molecular Weight 448.575 g/mol
SMILES c1(OS(c2c(cc(C)cc2C)C)(=O)=O)c(c(c(Cl)c(c1Cl)Cl)Cl)Cl
SPLASH splash10-014l-6900000000-fc5d8833134e8ea00bb0
Wiley ID 1456547