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r-1-Phenyl-1-fluoro-c-2-chloro-c-4-tert-butylcylohexane
SpectraBase Compound ID LSOX1n6jwcI
InChI InChI=1S/C16H22ClF/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 FYXSEMUKCFGGQA-XIFZVWCKSA-N
Mol Weight 268.8 g/mol
Molecular Formula C16H22ClF
Exact Mass 268.139407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKkb7bwjihC
Name r-1-Phenyl-1-fluoro-c-2-chloro-c-4-tert-butylcylohexane
CAS Registry Number 87830-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClF
InChI InChI=1S/C16H22ClF/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 FYXSEMUKCFGGQA-XIFZVWCKSA-N
Molecular Weight 268.803 g/mol
SMILES [C@@]1(C(C[C@@](CC1)(C(C)(C)C)[H])Cl)(c1ccccc1)F
SPLASH splash10-0a4i-9510000000-0e37c40b3a67759a43cb
Source of Spectrum J-49-336-0
Synonyms [(1S,4R)-4-tert-butyl-2-chloro-1-fluorocyclohexyl]benzene
Wiley ID 1272389