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2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]ethylcycloheptane
SpectraBase Compound ID Eccgi48AwCd
InChI InChI=1S/C28H25F7O/c29-22-13-20(19-11-9-18(10-12-19)8-7-17-5-3-1-2-4-6-17)14-23(30)26(22)28(34,35)36-21-15-24(31)27(33)25(32)16-21/h9-17H,1-8H2
InChIKey JZHAAVRTSMZDSL-UHFFFAOYSA-N
Mol Weight 510.5 g/mol
Molecular Formula C28H25F7O
Exact Mass 510.179363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CEhx6bGHZM
Name 2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]ethylcycloheptane
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Formula C28H25F7O
InChI InChI=1S/C28H25F7O/c29-22-13-20(19-11-9-18(10-12-19)8-7-17-5-3-1-2-4-6-17)14-23(30)26(22)28(34,35)36-21-15-24(31)27(33)25(32)16-21/h9-17H,1-8H2
InChIKey JZHAAVRTSMZDSL-UHFFFAOYSA-N
Instrument Name Agilent-MS5975C
Ionization Type EI
Molecular Weight 510.496 g/mol
SMILES c1cc(ccc1CCC1CCCCCC1)-c1cc(c(c(c1)F)C(Oc1cc(c(c(c1)F)F)F)(F)F)F
SPLASH splash10-0udi-0090000000-fb547b6dd480463f87ed
Source of Spectrum CN103467253A
Wiley ID 1847598