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(2-chloro-2,2-difluoro-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID GCwk5cICD4R
InChI InChI=1S/C9H9ClF2O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChIKey MSEMJNQSZNYHTC-UHFFFAOYSA-N
Mol Weight 270.68 g/mol
Molecular Formula C9H9ClF2O3S
Exact Mass 269.992899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaAPt25Vj8l
Name (2-chloro-2,2-difluoro-ethyl) 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid (2-chloro-2,2-difluoro-ethyl) ester Toluene-4-sulfonic acid, 2-chloro-2,2-difluoro-ethyl ester 4-Methylbenzenesulfonic acid (2-chloro-2,2-difluoroethyl) ester (2-chloro-2,2-difluoroethyl) 4-methylbenzenesulfonate
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Formula C9H9ClF2O3S
InChI InChI=1S/C9H9ClF2O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChIKey MSEMJNQSZNYHTC-UHFFFAOYSA-N
Molecular Weight 270.678 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(Cl)(F)F
SPLASH splash10-052f-9410000000-3d5ed32cb314851d907e
Wiley ID 1485288