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2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]oxepane
SpectraBase Compound ID 7fsL5oBzPDM
InChI InChI=1S/C25H26F6O2/c26-20-14-18(9-10-19(20)16-12-21(27)24(29)22(28)13-16)33-25(30,31)17-7-5-15(6-8-17)23-4-2-1-3-11-32-23/h9-10,12-15,17,23H,1-8,11H2
InChIKey BGRXFKWWVYELKX-UHFFFAOYSA-N
Mol Weight 472.47 g/mol
Molecular Formula C25H26F6O2
Exact Mass 472.183699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BP7SUkBGZX
Name 2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]cyclohexyl]oxepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26F6O2
InChI InChI=1S/C25H26F6O2/c26-20-14-18(9-10-19(20)16-12-21(27)24(29)22(28)13-16)33-25(30,31)17-7-5-15(6-8-17)23-4-2-1-3-11-32-23/h9-10,12-15,17,23H,1-8,11H2
InChIKey BGRXFKWWVYELKX-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 472.471 g/mol
SMILES C1(C2CCCCCO2)CCC(CC1)C(Oc1cc(c(cc1)-c1cc(c(c(c1)F)F)F)F)(F)F
SPLASH splash10-001i-0090000000-3370d2147abc091ae73d
Source of Spectrum CN103880810A
Wiley ID 1849693