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r-1-Phenyl-1,t-2-difluoro-1-t-4-tert-butylcyclohexane
SpectraBase Compound ID 9dQxJazzhih
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-IIAWOOMASA-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 7K5EudV8vbo
Name r-1-Phenyl-1,t-2-difluoro-1-t-4-tert-butylcyclohexane
CAS Registry Number 87830-06-6
Copyright Copyright © 2020-2024 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-IIAWOOMASA-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-9300000000-219649c3fae08b663c7f
Source of Spectrum J-49-335-0
Synonyms [(1R,2R,4R)-4-tert-butyl-1,2-difluorocyclohexyl]benzene
Wiley ID 1256097