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2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]phenyl]benzene

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2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]phenyl]benzene
SpectraBase Compound ID 11a3VoAj84e
InChI InChI=1S/C28H18F8O/c1-2-3-15-4-6-16(7-5-15)17-8-9-20(21(29)10-17)18-11-22(30)26(23(31)12-18)28(35,36)37-19-13-24(32)27(34)25(33)14-19/h4-14H,2-3H2,1H3/i1D3,2D2,3D2
InChIKey BUTABAGHRNZUHX-NCKGIQLSSA-N
Mol Weight 529.48 g/mol
Molecular Formula C28H11D7F8O
Exact Mass 529.166928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlYROEGb0nn
Name 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]phenyl]benzene
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Formula C28H11D7F8O
InChI InChI=1S/C28H18F8O/c1-2-3-15-4-6-16(7-5-15)17-8-9-20(21(29)10-17)18-11-22(30)26(23(31)12-18)28(35,36)37-19-13-24(32)27(34)25(33)14-19/h4-14H,2-3H2,1H3/i1D3,2D2,3D2
InChIKey BUTABAGHRNZUHX-NCKGIQLSSA-N
Ionization Type EI
Molecular Weight 529.481 g/mol
SMILES c1(cc(F)c(C(Oc2cc(F)c(F)c(F)c2)(F)F)c(F)c1)-c1c(F)cc(-c2ccc(C([D])([D])C([D])([D])C([D])([D])[D])cc2)cc1
SPLASH splash10-001i-4009010000-e7c3262b4e0b17eedd46
Source of Spectrum CN103724168A
Wiley ID 1849646