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(4S,5R)-4,5-Dimethyl-2-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyloxy)phenyl][1,3]dioxane
SpectraBase Compound ID ICOabEM0Crr
InChI InChI=1S/C23H21F17O3/c1-11-10-42-15(43-12(11)2)13-4-6-14(7-5-13)41-9-3-8-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15?/m1/s1
InChIKey IQBWQNACXHPINZ-ZVORSSOTSA-N
Mol Weight 668.39 g/mol
Molecular Formula C23H21F17O3
Exact Mass 668.121923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnyQDUMnBji
Name (4S,5R)-4,5-Dimethyl-2-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyloxy)phenyl][1,3]dioxane
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Formula C23H21F17O3
InChI InChI=1S/C23H21F17O3/c1-11-10-42-15(43-12(11)2)13-4-6-14(7-5-13)41-9-3-8-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15?/m1/s1
InChIKey IQBWQNACXHPINZ-ZVORSSOTSA-N
Molecular Weight 668.391 g/mol
SMILES C1(OC[C@]([C@@](O1)(C)[H])(C)[H])c1ccc(cc1)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-00di-0900042000-5e5ec42bf96f727587cb
Source of Spectrum F-70-9457-8
Synonyms (4S,5R)-2-{4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)oxy]phenyl}-4,5-dimethyl-1,3-dioxane 4-[(4S,5R)-4,5-dimethyl-1,3-dioxan-2-yl]phenyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ether
Wiley ID 1597825