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5-cyclopentyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]-1,3-dioxane
SpectraBase Compound ID De6oClywNLT
InChI InChI=1S/C22H19F7O3/c23-15-5-12(21-30-9-13(10-31-21)11-3-1-2-4-11)6-16(24)19(15)22(28,29)32-14-7-17(25)20(27)18(26)8-14/h5-8,11,13,21H,1-4,9-10H2
InChIKey CNBCGZAKXQVUKH-UHFFFAOYSA-N
Mol Weight 464.38 g/mol
Molecular Formula C22H19F7O3
Exact Mass 464.122242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ePPbifjOh
Name 5-cyclopentyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F7O3
InChI InChI=1S/C22H19F7O3/c23-15-5-12(21-30-9-13(10-31-21)11-3-1-2-4-11)6-16(24)19(15)22(28,29)32-14-7-17(25)20(27)18(26)8-14/h5-8,11,13,21H,1-4,9-10H2
InChIKey CNBCGZAKXQVUKH-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 464.380 g/mol
SMILES c1(C(Oc2cc(c(c(c2)F)F)F)(F)F)c(cc(cc1F)C1OCC(CO1)C1CCCC1)F
SPLASH splash10-014i-0109000000-d32c55ae6986dc0d9709
Source of Spectrum CN103694214A
Wiley ID 1849639