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Methyl 2-(perfluoro-1-butanesulfonyloxy)benzoate
SpectraBase Compound ID 1lMAV4Rk8xQ
InChI InChI=1S/C12H7F9O5S/c1-25-8(22)6-4-2-3-5-7(6)26-27(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-5H,1H3
InChIKey ZCEWGEIXYKVWRI-UHFFFAOYSA-N
Mol Weight 434.23 g/mol
Molecular Formula C12H7F9O5S
Exact Mass 433.987048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKhCI47Y87E
Name Methyl 2-(perfluoro-1-butanesulfonyloxy)benzoate
Alternate Name(s) Methyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoate Methyl 2-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyloxy]benzoate
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Formula C12H7F9O5S
InChI InChI=1S/C12H7F9O5S/c1-25-8(22)6-4-2-3-5-7(6)26-27(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-5H,1H3
InChIKey ZCEWGEIXYKVWRI-UHFFFAOYSA-N
Molecular Weight 434.229 g/mol
SMILES C(S(Oc1c(C(=O)OC)cccc1)(=O)=O)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-01bj-9501000000-a1f4114fa1d825b41e6b
Source of Spectrum F-56-2539-9
Wiley ID 856601