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trans-1-[trans-4-(3,4-Difluorophenyl)cyclohexyl]-4-(4-trifluoromethoxybutyl)cyclohexane
SpectraBase Compound ID Ne3SmZN0BK
InChI InChI=1S/C23H31F5O/c24-21-13-12-20(15-22(21)25)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-29-23(26,27)28/h12-13,15-19H,1-11,14H2/t16-,17-,18-,19-
InChIKey FSNPGOWEVHDXEC-VVPTUSLJSA-N
Mol Weight 418.49 g/mol
Molecular Formula C23H31F5O
Exact Mass 418.229506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXAp4PaWNte
Name trans-1-[trans-4-(3,4-Difluorophenyl)cyclohexyl]-4-(4-trifluoromethoxybutyl)cyclohexane
Alternate Name(s) 1,2-Difluoro-4-(4-{4-[4-(trifluoromethoxy)butyl]cyclohexyl}cyclohexyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31F5O
InChI InChI=1S/C23H31F5O/c24-21-13-12-20(15-22(21)25)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-29-23(26,27)28/h12-13,15-19H,1-11,14H2/t16-,17-,18-,19-
InChIKey FSNPGOWEVHDXEC-VVPTUSLJSA-N
Molecular Weight 418.492 g/mol
SMILES C(F)(F)(F)OCCCC[C@]1(CC[C@]([C@]2(CC[C@](c3cc(F)c(cc3)F)(CC2)[H])[H])(CC1)[H])[H]
SPLASH splash10-016r-9700100000-f2812d7c8c87bc5e088e
Source of Spectrum AJ-73-1887-9
Wiley ID 775554