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Toluene-4-sulfonic acid, 3-iodo-2,2-dimethylpropyl ester
SpectraBase Compound ID H04dd8GL8q4
InChI InChI=1S/C12H17IO3S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7H,8-9H2,1-3H3
InChIKey WKYAGPAFLVFUEQ-UHFFFAOYSA-N
Mol Weight 368.23 g/mol
Molecular Formula C12H17IO3S
Exact Mass 367.994311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sZG960zeBt
Name Toluene-4-sulfonic acid, 3-iodo-2,2-dimethylpropyl ester
Alternate Name(s) (3-iodanyl-2,2-dimethyl-propyl) 4-methylbenzenesulfonate (3-iodo-2,2-dimethyl-propyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-iodo-2,2-dimethyl-propyl) ester 4-Methylbenzenesulfonic acid (3-iodo-2,2-dimethylpropyl) ester
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Formula C12H17IO3S
InChI InChI=1S/C12H17IO3S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7H,8-9H2,1-3H3
InChIKey WKYAGPAFLVFUEQ-UHFFFAOYSA-N
Molecular Weight 368.229 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCC(C)(C)CI
SPLASH splash10-05mo-9200000000-ebf5a65892994f0bbe09
Wiley ID 1482810