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2-Phenyl-2-(iodooctafluoroethoxyethylsulfonylamido)ethanoic acid
SpectraBase Compound ID BAW1958bCtI
InChI InChI=1S/C12H8F8INO5S/c13-9(14,21)10(15,16)27-11(17,18)12(19,20)28(25,26)22-7(8(23)24)6-4-2-1-3-5-6/h1-5,7,22H,(H,23,24)
InChIKey INCMMNAWKIBKRY-UHFFFAOYSA-N
Mol Weight 557.15 g/mol
Molecular Formula C12H8F8INO5S
Exact Mass 556.904014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bBtWPBYWwP
Name 2-Phenyl-2-(iodooctafluoroethoxyethylsulfonylamido)ethanoic acid
Alternate Name(s) phenyl({[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonyl}amino)acetic acid Phenyl-[tetrafluoro-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-ethanesulfonylamino]-acetic acid
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Formula C12H8F8INO5S
InChI InChI=1S/C12H8F8INO5S/c13-9(14,21)10(15,16)27-11(17,18)12(19,20)28(25,26)22-7(8(23)24)6-4-2-1-3-5-6/h1-5,7,22H,(H,23,24)
InChIKey INCMMNAWKIBKRY-UHFFFAOYSA-N
Molecular Weight 557.150 g/mol
SMILES N(S(C(C(OC(C(I)(F)F)(F)F)(F)F)(F)F)(=O)=O)C(C(=O)O)c1ccccc1
SPLASH splash10-0a6r-3920000000-49cd394cc802f3447cd2
Source of Spectrum SO-0-692-3
Wiley ID 863760