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trans-1-[trans-4-(3,4-Difluorophenyl)cyclohexyl]-4-(3-trifluoromethoxypropyl)cyclohexane
SpectraBase Compound ID 3b6qRA5gjiV
InChI InChI=1S/C22H29F5O/c23-20-12-11-19(14-21(20)24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-13-28-22(25,26)27/h11-12,14-18H,1-10,13H2/t15-,16-,17-,18-
InChIKey VBSAXJPBAFTUGK-OPMHRUBESA-N
Mol Weight 404.47 g/mol
Molecular Formula C22H29F5O
Exact Mass 404.213856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0Sb8RZOyla
Name trans-1-[trans-4-(3,4-Difluorophenyl)cyclohexyl]-4-(3-trifluoromethoxypropyl)cyclohexane
Alternate Name(s) 1,2-Difluoro-4-(4-{4-[3-(trifluoromethoxy)propyl]cyclohexyl}cyclohexyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29F5O
InChI InChI=1S/C22H29F5O/c23-20-12-11-19(14-21(20)24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-13-28-22(25,26)27/h11-12,14-18H,1-10,13H2/t15-,16-,17-,18-
InChIKey VBSAXJPBAFTUGK-OPMHRUBESA-N
Molecular Weight 404.465 g/mol
SMILES C(F)(F)(F)OCCC[C@]1(CC[C@]([C@]2(CC[C@](c3cc(F)c(cc3)F)(CC2)[H])[H])(CC1)[H])[H]
SPLASH splash10-0005-0900000000-676152d86b3e50620607
Source of Spectrum AJ-73-1887-9
Wiley ID 775555