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2-Oxo-4-phenyl-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-ethanesulfonylamino]-butyricacid ethyl ester
SpectraBase Compound ID CbYi2u0RJ9i
InChI InChI=1S/C16H14F8INO6S/c1-2-31-12(28)11(27)10(8-9-6-4-3-5-7-9)26-33(29,30)16(23,24)15(21,22)32-14(19,20)13(17,18)25/h3-7,10,26H,2,8H2,1H3
InChIKey CZAUOWTUSFFPPT-UHFFFAOYSA-N
Mol Weight 627.24 g/mol
Molecular Formula C16H14F8INO6S
Exact Mass 626.945879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4kf894VZ6f
Name 2-Oxo-4-phenyl-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-ethanesulfonylamino]-butyricacid ethyl ester
Alternate Name(s) Ethyl 3-[N-(5-iodo-3-oxaoctafluoropentanesulfonyl)]amino-2-oxo-4-phenylbutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F8INO6S
InChI InChI=1S/C16H14F8INO6S/c1-2-31-12(28)11(27)10(8-9-6-4-3-5-7-9)26-33(29,30)16(23,24)15(21,22)32-14(19,20)13(17,18)25/h3-7,10,26H,2,8H2,1H3
InChIKey CZAUOWTUSFFPPT-UHFFFAOYSA-N
Molecular Weight 627.241 g/mol
SMILES N(S(C(C(OC(C(I)(F)F)(F)F)(F)F)(F)F)(=O)=O)C(C(C(=O)OCC)=O)Cc1ccccc1
SPLASH splash10-014i-0900000000-c87c27299d37d6b83c84
Source of Spectrum F-59-4393-4ac
Wiley ID 1678234