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2-[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 9ksmUMGG3zx
InChI InChI=1S/C30H28F6O/c1-2-3-17-10-21-12-23(13-22(21)11-17)19-6-4-18(5-7-19)20-8-9-25(26(31)14-20)24-15-27(32)29(28(33)16-24)37-30(34,35)36/h4-9,14-17,21-23H,2-3,10-13H2,1H3
InChIKey QPJOMGOQIPKBDD-UHFFFAOYSA-N
Mol Weight 518.54 g/mol
Molecular Formula C30H28F6O
Exact Mass 518.204434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c6rMpndQAa
Name 2-[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28F6O
InChI InChI=1S/C30H28F6O/c1-2-3-17-10-21-12-23(13-22(21)11-17)19-6-4-18(5-7-19)20-8-9-25(26(31)14-20)24-15-27(32)29(28(33)16-24)37-30(34,35)36/h4-9,14-17,21-23H,2-3,10-13H2,1H3
InChIKey QPJOMGOQIPKBDD-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 518.543 g/mol
SMILES C1C(CC2C1CC(C2)c1ccc(cc1)-c1cc(c(cc1)-c1cc(c(c(c1)F)OC(F)(F)F)F)F)CCC
SPLASH splash10-0a4i-0900410000-90a92dc4e59b8fd73d1d
Source of Spectrum CN102875417A
Wiley ID 1847081