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2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]-1,3-dioxepane
SpectraBase Compound ID JTcf8DnXzdI
InChI InChI=1S/C24H24F6O3/c25-19-13-17(7-8-18(19)15-11-20(26)22(28)21(27)12-15)33-24(29,30)16-5-3-14(4-6-16)23-31-9-1-2-10-32-23/h7-8,11-14,16,23H,1-6,9-10H2
InChIKey BQBBBMZOMCZRPC-UHFFFAOYSA-N
Mol Weight 474.44 g/mol
Molecular Formula C24H24F6O3
Exact Mass 474.162964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69l94t6P0Er
Name 2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]-1,3-dioxepane
Appearance White crystal
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Formula C24H24F6O3
InChI InChI=1S/C24H24F6O3/c25-19-13-17(7-8-18(19)15-11-20(26)22(28)21(27)12-15)33-24(29,30)16-5-3-14(4-6-16)23-31-9-1-2-10-32-23/h7-8,11-14,16,23H,1-6,9-10H2
InChIKey BQBBBMZOMCZRPC-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 474.443 g/mol
SMILES C1(C2OCCCCO2)CCC(CC1)C(Oc1cc(c(cc1)-c1cc(c(c(c1)F)F)F)F)(F)F
SPLASH splash10-001i-0090000000-2fce683bcb83718b0d8a
Source of Spectrum CN103880814A
Wiley ID 1849696