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2-METHYL-6-TRIFLUOROMETHYL-CYCLOHEXANONE;MAJOR-ISOMER

View entire compound with spectra: 4 NMR

2-METHYL-6-TRIFLUOROMETHYL-CYCLOHEXANONE;MAJOR-ISOMER
SpectraBase Compound ID DF0WSXGPmr5
InChI InChI=1S/C8H11F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h5-6H,2-4H2,1H3
InChIKey FXWOJJUXDKHUMK-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C8H11F3O
Exact Mass 180.076199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID opPP69otF3
Name CIS-2-METHYL-6-TRIFLUOROMETHYL-CYCLOHEXANONE
Compound Number 2C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11F3O
InChI InChI=1S/C8H11F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h5-6H,2-4H2,1H3
InChIKey FXWOJJUXDKHUMK-UHFFFAOYSA-N
Literature Reference Author K.MIKAMI,Y.TOMITA,Y.ICHIKAWA,K.AMIKURA,Y.ITOH
Literature Reference Citation ORG.LETTERS,8,4671(2006)
Literature Reference DOI 10.1021/ol0611301
Molecular Weight 180.170 g/mol
Sample ID 61664
Solvent CDCl3