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3-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]benzoic acid ethyl ester
SpectraBase Compound ID 1qHbVpIrHKT
InChI InChI=1S/C19H13F9O5S/c1-2-32-15(29)13-7-3-5-11(9-13)12-6-4-8-14(10-12)33-34(30,31)19(27,28)17(22,23)16(20,21)18(24,25)26/h3-10H,2H2,1H3
InChIKey JVSILINXEQSOOK-UHFFFAOYSA-N
Mol Weight 524.35 g/mol
Molecular Formula C19H13F9O5S
Exact Mass 524.033998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fD6SrT3N5W
Name 3-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]benzoic acid ethyl ester
Alternate Name(s) Ethyl 3-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]benzoate Ethyl 3-[3-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyloxy]phenyl]benzoate
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Formula C19H13F9O5S
InChI InChI=1S/C19H13F9O5S/c1-2-32-15(29)13-7-3-5-11(9-13)12-6-4-8-14(10-12)33-34(30,31)19(27,28)17(22,23)16(20,21)18(24,25)26/h3-10H,2H2,1H3
InChIKey JVSILINXEQSOOK-UHFFFAOYSA-N
Molecular Weight 524.354 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(S(Oc1cc(-c2cc(C(=O)OCC)ccc2)ccc1)(=O)=O)(F)F
SPLASH splash10-024i-1350290000-c4ff3c499dd831474edc
Source of Spectrum J-63-208-9
Wiley ID 1402453