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5-cyclopentyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-1,3-dioxane
SpectraBase Compound ID LLLkfivYh61
InChI InChI=1S/C22H27F5O3/c23-18-9-17(10-19(24)20(18)25)30-22(26,27)16-7-5-14(6-8-16)21-28-11-15(12-29-21)13-3-1-2-4-13/h9-10,13-16,21H,1-8,11-12H2
InChIKey AEGJMSIQESAFHH-UHFFFAOYSA-N
Mol Weight 434.45 g/mol
Molecular Formula C22H27F5O3
Exact Mass 434.188036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66bAnpDNBqa
Name 5-cyclopentyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-1,3-dioxane
Appearance White crystals
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Formula C22H27F5O3
InChI InChI=1S/C22H27F5O3/c23-18-9-17(10-19(24)20(18)25)30-22(26,27)16-7-5-14(6-8-16)21-28-11-15(12-29-21)13-3-1-2-4-13/h9-10,13-16,21H,1-8,11-12H2
InChIKey AEGJMSIQESAFHH-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 434.447 g/mol
SMILES C1(COC(OC1)C1CCC(CC1)C(Oc1cc(c(c(c1)F)F)F)(F)F)C1CCCC1
SPLASH splash10-0002-0900000000-e6acefcc6f47902c6a3c
Source of Spectrum CN103694214A
Wiley ID 1849637