For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
r-1-Phenyl-1-fluoro-c-2-bromo-t-4-tert-butylcylohexane
SpectraBase Compound ID BLqDRiYo3Bk
InChI InChI=1S/C16H22BrF/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 BEXFZXPYJCJUJJ-IJEWVQPXSA-N
Mol Weight 313.25 g/mol
Molecular Formula C16H22BrF
Exact Mass 312.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5yhChwC22G7
Name r-1-Phenyl-1-fluoro-c-2-bromo-t-4-tert-butylcylohexane
CAS Registry Number 87830-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrF
InChI InChI=1S/C16H22BrF/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 BEXFZXPYJCJUJJ-IJEWVQPXSA-N
Molecular Weight 313.254 g/mol
SMILES [C@]1([C@](C[C@@](CC1)(C(C)(C)C)[H])(Br)[H])(c1ccccc1)F
SPLASH splash10-0a4i-3900000000-e2d5aea19700b1cebf60
Source of Spectrum J-49-336-0
Synonyms [(1R,2S,4R)-2-bromo-4-tert-butyl-1-fluorocyclohexyl]benzene
Wiley ID 1313124