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[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]cycloheptane
SpectraBase Compound ID FH6jYEVluOA
InChI InChI=1S/C20H17F7O/c21-14-7-12(11-5-3-1-2-4-6-11)8-15(22)18(14)20(26,27)28-13-9-16(23)19(25)17(24)10-13/h7-11H,1-6H2
InChIKey SIQOUTOSDJWECV-UHFFFAOYSA-N
Mol Weight 406.34 g/mol
Molecular Formula C20H17F7O
Exact Mass 406.116762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ee040DuQhL
Name [4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]cycloheptane
Appearance White needles crystals
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Formula C20H17F7O
InChI InChI=1S/C20H17F7O/c21-14-7-12(11-5-3-1-2-4-6-11)8-15(22)18(14)20(26,27)28-13-9-16(23)19(25)17(24)10-13/h7-11H,1-6H2
InChIKey SIQOUTOSDJWECV-UHFFFAOYSA-N
Instrument Name Agilent-MS5975C
Ionization Type EI
Molecular Weight 406.344 g/mol
SMILES c1(C(Oc2cc(c(c(c2)F)F)F)(F)F)c(cc(cc1F)C1CCCCCC1)F
SPLASH splash10-0a4i-0090000000-bfc983e1b2451759bcc8
Source of Spectrum CN103467253A
Wiley ID 1847595