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2-Phenyl-5,5-di(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
SpectraBase Compound ID 6J0nmwhkBoH
InChI InChI=1S/C26H18F26O2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)8-6-14(10-53-13(54-11-14)12-4-2-1-3-5-12)7-9-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h1-5,13H,6-11H2
InChIKey PKFYOLVNQVYMRU-UHFFFAOYSA-N
Mol Weight 856.39 g/mol
Molecular Formula C26H18F26O2
Exact Mass 856.089162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APcb6ZxmbKT
Name 2-Phenyl-5,5-di(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18F26O2
InChI InChI=1S/C26H18F26O2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)8-6-14(10-53-13(54-11-14)12-4-2-1-3-5-12)7-9-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h1-5,13H,6-11H2
InChIKey PKFYOLVNQVYMRU-UHFFFAOYSA-N
Molecular Weight 856.386 g/mol
SMILES C(C(C(C(CCC1(COC(OC1)c1ccccc1)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 splash10-0a4i-0900000000-b6c55b9ff1f9d00e98d9
Source of Spectrum Y1-44-7047-5
Synonyms 2-phenyl-5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxane
Wiley ID 1621686