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(2R,4S)-4-tert-butyl-2-fluoranyl-cyclohexan-1-one
SpectraBase Compound ID 9I0HOhnJUAi
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+/m0/s1
InChIKey FDEQGSUXDUOCAO-JGVFFNPUSA-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 AFphHfdld2W
Name (2R,4S)-4-tert-butyl-2-fluoranyl-cyclohexan-1-one
Alternate Name(s) (2R,4S)-4-tert-butyl-2-fluoro-1-cyclohexanone (2R,4S)-4-tert-butyl-2-fluoro-cyclohexanone (2R,4S)-4-tert-butyl-2-fluorocyclohexan-1-one
CAS Registry Number 35394-07-1
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+/m0/s1
InChIKey FDEQGSUXDUOCAO-JGVFFNPUSA-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-faf17df66de77f6961ad
Source of Spectrum J-47-575-0
Wiley ID 1168938