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(4R,5S)-(4,5-Dimethyl-2-[4,4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyloxy)phenyl][1,3]dioxane
SpectraBase Compound ID FDY66Vyf1RV
InChI InChI=1S/C21H21F13O3/c1-11-10-36-15(37-12(11)2)13-4-6-14(7-5-13)35-9-3-8-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15-/m0/s1
InChIKey ZBELCBWLGYBCCX-ZOWXZIJZSA-N
Mol Weight 568.38 g/mol
Molecular Formula C21H21F13O3
Exact Mass 568.128311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K259D2g2UOT
Name (4R,5S)-(4,5-Dimethyl-2-[4,4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyloxy)phenyl][1,3]dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F13O3
InChI InChI=1S/C21H21F13O3/c1-11-10-36-15(37-12(11)2)13-4-6-14(7-5-13)35-9-3-8-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15-/m0/s1
InChIKey ZBELCBWLGYBCCX-ZOWXZIJZSA-N
Molecular Weight 568.375 g/mol
SMILES C(C(C(C(F)(F)CCCOc1ccc([C@@]2(O[C@](C)([C@](CO2)(C)[H])[H])[H])cc1)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-00di-0900110000-90ccd6c61c7256f44772
Source of Spectrum F-70-9457-8
Synonyms (2S,4R,5S)-4,5-dimethyl-2-[4-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonoxy]phenyl]-1,3-dioxane
Wiley ID 1597828