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cis-2-Fluoro-4-tert-butyl-cyclohexanone
SpectraBase Compound ID cW4uMRZgEa
InChI InChI=1S/C10H17FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey FDEQGSUXDUOCAO-HTQZYQBOSA-N
Mol Weight 172.24 g/mol
Molecular Formula C10H17FO
Exact Mass 172.126343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPKObFGiHFq
Name cis-2-Fluoro-4-tert-butylcyclohexanone
CAS Registry Number 35394-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17FO
InChI InChI=1S/C10H17FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey FDEQGSUXDUOCAO-HTQZYQBOSA-N
Molecular Weight 172.243 g/mol
SMILES C1([C@@](C[C@@](CC1)(C(C)(C)C)[H])(F)[H])=O
SPLASH splash10-0a4i-9100000000-9853a5699e6a7ea89f89
Source of Spectrum J-47-575-0
Synonyms (2R,4R)-4-tert-butyl-2-fluorocyclohexanone (2R,4R)-4-tert-butyl-2-fluoro-1-cyclohexanone (2R,4R)-4-tert-butyl-2-fluorocyclohexan-1-one (2R,4R)-4-tert-butyl-2-fluoranyl-cyclohexan-1-one
Wiley ID 1168939