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trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanepropanol
SpectraBase Compound ID KpTXCKVDS6F
InChI InChI=1S/C21H30F2O/c22-20-12-11-19(14-21(20)23)18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-13-24/h11-12,14-18,24H,1-10,13H2/t15-,16-,17-,18-
InChIKey NBVSMYOSPWQDEL-OPMHRUBESA-N
Mol Weight 336.47 g/mol
Molecular Formula C21H30F2O
Exact Mass 336.226472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoCyN4Bf6uB
Name trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanepropanol
Alternate Name(s) 3-{4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl}propan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30F2O
InChI InChI=1S/C21H30F2O/c22-20-12-11-19(14-21(20)23)18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-13-24/h11-12,14-18,24H,1-10,13H2/t15-,16-,17-,18-
InChIKey NBVSMYOSPWQDEL-OPMHRUBESA-N
Molecular Weight 336.467 g/mol
SMILES OCCC[C@]1(CC[C@]([C@]2(CC[C@](c3cc(F)c(cc3)F)(CC2)[H])[H])(CC1)[H])[H]
SPLASH splash10-00o0-9701000000-7ee4eac15c1f16cd986a
Source of Spectrum AJ-73-1883-1
Wiley ID 775440