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2-[4-[4-(2,3-difluoro-4-propyl-phenyl)-2,3-difluoro-phenyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID DcflePlhkl8
InChI InChI=1S/C29H28F4/c1-2-4-19-11-12-24(28(32)26(19)30)25-14-13-23(27(31)29(25)33)18-9-7-17(8-10-18)22-15-20-5-3-6-21(20)16-22/h7-14,20-22H,2-6,15-16H2,1H3
InChIKey PNEZWJTZJBOYJL-UHFFFAOYSA-N
Mol Weight 452.54 g/mol
Molecular Formula C29H28F4
Exact Mass 452.212714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mvYHVSvD1H
Name 2-[4-[4-(2,3-difluoro-4-propyl-phenyl)-2,3-difluoro-phenyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28F4
InChI InChI=1S/C29H28F4/c1-2-4-19-11-12-24(28(32)26(19)30)25-14-13-23(27(31)29(25)33)18-9-7-17(8-10-18)22-15-20-5-3-6-21(20)16-22/h7-14,20-22H,2-6,15-16H2,1H3
InChIKey PNEZWJTZJBOYJL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 452.537 g/mol
SMILES c1(c(F)c(F)c(-c2ccc(C3CC4CCCC4C3)cc2)cc1)-c1ccc(c(c1F)F)CCC
SPLASH splash10-0udi-0000900000-d8f6175bbe15ba3dcd25
Source of Spectrum CN103086843A
Wiley ID 1847229