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2-Acetylphenyl-5,5-di(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
SpectraBase Compound ID CuoXzjRGsyR
InChI InChI=1S/C28H20F26O3/c1-12(55)13-2-4-14(5-3-13)15-56-10-16(11-57-15,6-8-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)7-9-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h2-5,15H,6-11H2,1H3
InChIKey SFMZRHPQNMZBLT-UHFFFAOYSA-N
Mol Weight 898.42 g/mol
Molecular Formula C28H20F26O3
Exact Mass 898.099727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nKRAlDpM51
Name 2-Acetylphenyl-5,5-di(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
Alternate Name(s) 1-[4-[5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxan-2-yl]phenyl]ethanone
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Formula C28H20F26O3
InChI InChI=1S/C28H20F26O3/c1-12(55)13-2-4-14(5-3-13)15-56-10-16(11-57-15,6-8-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)7-9-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h2-5,15H,6-11H2,1H3
InChIKey SFMZRHPQNMZBLT-UHFFFAOYSA-N
Molecular Weight 898.423 g/mol
SMILES C(C(C(C(CCC1(COC(OC1)c1ccc(cc1)C(=O)C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-00l2-1900000000-4277f414ffc1f7e532b2
Source of Spectrum Y1-44-7047-7
Wiley ID 1621685