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2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-1,4-dioxane
SpectraBase Compound ID 9Dl5D5nOrK7
InChI InChI=1S/C23H15F7O3/c24-16-7-14(12-1-3-13(4-2-12)20-11-31-5-6-32-20)8-17(25)21(16)23(29,30)33-15-9-18(26)22(28)19(27)10-15/h1-4,7-10,20H,5-6,11H2
InChIKey FODLFKXDLPFCDH-UHFFFAOYSA-N
Mol Weight 472.36 g/mol
Molecular Formula C23H15F7O3
Exact Mass 472.090941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2TQFpsjh7p
Name 2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-1,4-dioxane
Appearance White needle Crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F7O3
InChI InChI=1S/C23H15F7O3/c24-16-7-14(12-1-3-13(4-2-12)20-11-31-5-6-32-20)8-17(25)21(16)23(29,30)33-15-9-18(26)22(28)19(27)10-15/h1-4,7-10,20H,5-6,11H2
InChIKey FODLFKXDLPFCDH-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 472.359 g/mol
SMILES c1(ccc(cc1)-c1cc(c(c(c1)F)C(Oc1cc(c(c(c1)F)F)F)(F)F)F)C1COCCO1
SPLASH splash10-004i-0049000000-18632164124279bff373
Source of Spectrum CN103333155A
Wiley ID 1866019