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r-1-(4-Methoxyphenyl)-1,c-2-difluoro-t-4-tert-butylcyclohexane
SpectraBase Compound ID 8zYKNnF1mNe
InChI InChI=1S/C17H24F2O/c1-16(2,3)13-9-10-17(19,15(18)11-13)12-5-7-14(20-4)8-6-12/h5-8,13,15H,9-11H2,1-4H3/t13-,15+,17+/m0/s1
InChIKey MCSSCCNWVVHQIW-YSVLISHTSA-N
Mol Weight 282.37 g/mol
Molecular Formula C17H24F2O
Exact Mass 282.179522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hCBKbFShc9
Name r-1-(4-Methoxyphenyl)-1,c-2-difluoro-t-4-tert-butylcyclohexane
Alternate Name(s) 1-[(1R,2R,4S)-4-tert-butyl-1,2-difluorocyclohexyl]-4-methoxybenzene 4-[(1R,2R,4S)-4-tert-butyl-1,2-difluorocyclohexyl]phenyl methyl ether
CAS Registry Number 87830-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24F2O
InChI InChI=1S/C17H24F2O/c1-16(2,3)13-9-10-17(19,15(18)11-13)12-5-7-14(20-4)8-6-12/h5-8,13,15H,9-11H2,1-4H3/t13-,15+,17+/m0/s1
InChIKey MCSSCCNWVVHQIW-YSVLISHTSA-N
Molecular Weight 282.375 g/mol
SMILES [C@]1([C@@](C[C@](CC1)(C(C)(C)C)[H])(F)[H])(c1ccc(cc1)OC)F
SPLASH splash10-00lr-1910000000-611bbcd484a0b7215b68
Source of Spectrum J-49-336-0
Wiley ID 1286148