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Methyl 4-methoxy-2-(perfluoro-1-butanesulfonyloxy)benzoate
SpectraBase Compound ID AHJ5DZ7Y3bV
InChI InChI=1S/C13H9F9O6S/c1-26-6-3-4-7(9(23)27-2)8(5-6)28-29(24,25)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-5H,1-2H3
InChIKey NFRCYLBBDXHVGN-UHFFFAOYSA-N
Mol Weight 464.25 g/mol
Molecular Formula C13H9F9O6S
Exact Mass 463.997613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Sw8XKJHOFF
Name Methyl 4-methoxy-2-(perfluoro-1-butanesulfonyloxy)benzoate
Alternate Name(s) Methyl 4-methoxy-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoate Methyl 4-methoxy-2-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyloxy]benzoate
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Formula C13H9F9O6S
InChI InChI=1S/C13H9F9O6S/c1-26-6-3-4-7(9(23)27-2)8(5-6)28-29(24,25)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-5H,1-2H3
InChIKey NFRCYLBBDXHVGN-UHFFFAOYSA-N
Molecular Weight 464.255 g/mol
SMILES C(S(Oc1c(C(=O)OC)ccc(c1)OC)(=O)=O)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-9400300000-5006c3c645fd75338067
Source of Spectrum F-56-2539-9
Wiley ID 856599