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r-1-Phenyl-1,c-2-difluoro-t-4-tert-butylcyclohexane
SpectraBase Compound ID JC2ub1XfDen
InChI InChI=1S/C16H22F2/c1-15(2,3)13-9-10-16(18,14(17)11-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKey NZOQDFUJWGEGHG-IJEWVQPXSA-N
Mol Weight 252.35 g/mol
Molecular Formula C16H22F2
Exact Mass 252.168957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hbtxd9xDOGa
Name r-1-Phenyl-1,c-2-difluoro-t-4-tert-butylcyclohexane
CAS Registry Number 87830-00-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22F2
InChI InChI=1S/C16H22F2/c1-15(2,3)13-9-10-16(18,14(17)11-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKey NZOQDFUJWGEGHG-IJEWVQPXSA-N
Molecular Weight 252.349 g/mol
SMILES [C@]1([C@](C[C@@](CC1)(C(C)(C)C)[H])(F)[H])(c1ccccc1)F
SPLASH splash10-0a4i-9200000000-ff579505bc38e05bf2ad
Source of Spectrum J-49-335-0
Synonyms [(1R,2S,4R)-4-tert-butyl-1,2-difluorocyclohexyl]benzene
Wiley ID 1256096