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4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoic acid ethyl ester
SpectraBase Compound ID 5jK2lzAaWZt
InChI InChI=1S/C13H9F9O5S/c1-2-26-9(23)7-3-5-8(6-4-7)27-28(24,25)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-6H,2H2,1H3
InChIKey NBKMVIZRRQEUBL-UHFFFAOYSA-N
Mol Weight 448.26 g/mol
Molecular Formula C13H9F9O5S
Exact Mass 448.002698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rZ1WK2zArw
Name 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F9O5S
InChI InChI=1S/C13H9F9O5S/c1-2-26-9(23)7-3-5-8(6-4-7)27-28(24,25)13(21,22)11(16,17)10(14,15)12(18,19)20/h3-6H,2H2,1H3
InChIKey NBKMVIZRRQEUBL-UHFFFAOYSA-N
Molecular Weight 448.256 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(S(Oc1ccc(C(=O)OCC)cc1)(=O)=O)(F)F
SPLASH splash10-0pvu-5505900000-f9729e8e807dd1af7049
Source of Spectrum J-63-206-5
Synonyms Ethyl 4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyloxy]benzoate
Wiley ID 1387032