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trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanebutanol
SpectraBase Compound ID AAZoN43lhmZ
InChI InChI=1S/C22H32F2O/c23-21-13-12-20(15-22(21)24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-25/h12-13,15-19,25H,1-11,14H2/t16-,17-,18-,19-
InChIKey QMPOMAIMALLUHS-VVPTUSLJSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H32F2O
Exact Mass 350.242122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jm4i5eUZPI1
Name trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanebutanol
Alternate Name(s) 4-{4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl}butan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32F2O
InChI InChI=1S/C22H32F2O/c23-21-13-12-20(15-22(21)24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-25/h12-13,15-19,25H,1-11,14H2/t16-,17-,18-,19-
InChIKey QMPOMAIMALLUHS-VVPTUSLJSA-N
Molecular Weight 350.494 g/mol
SMILES OCCCC[C@]1(CC[C@]([C@]2(CC[C@](c3cc(F)c(cc3)F)(CC2)[H])[H])(CC1)[H])[H]
SPLASH splash10-000b-0900000000-2cd569c809635fbff8d9
Source of Spectrum AJ-73-1883-1
Wiley ID 775439