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3-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]-9-propyl-2-oxaspiro[5.5]undecane
SpectraBase Compound ID 4DEhkw4MRDg
InChI InChI=1S/C32H38F6O2/c1-2-3-20-10-13-31(14-11-20)15-12-29(39-19-31)21-4-6-23(7-5-21)32(37,38)40-24-8-9-25(26(33)18-24)22-16-27(34)30(36)28(35)17-22/h8-9,16-18,20-21,23,29H,2-7,10-15,19H2,1H3
InChIKey NQPRYWCMIVEJHX-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C32H38F6O2
Exact Mass 568.277599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuFE8vOe8iG
Name 3-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]-9-propyl-2-oxaspiro[5.5]undecane
Appearance White crystalline
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Formula C32H38F6O2
InChI InChI=1S/C32H38F6O2/c1-2-3-20-10-13-31(14-11-20)15-12-29(39-19-31)21-4-6-23(7-5-21)32(37,38)40-24-8-9-25(26(33)18-24)22-16-27(34)30(36)28(35)17-22/h8-9,16-18,20-21,23,29H,2-7,10-15,19H2,1H3
InChIKey NQPRYWCMIVEJHX-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010SE
Ionization Type EI
Molecular Weight 568.644 g/mol
SMILES C12(CCC(CC2)CCC)COC(CC1)C1CCC(C(Oc2ccc(c(c2)F)-c2cc(c(c(c2)F)F)F)(F)F)CC1
SPLASH splash10-0udi-0090000000-c56edc2bbf9d6752aec5
Source of Spectrum CN106520140A
Wiley ID 1855182