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2-Trifluoromethyl-cyclohexanone

View entire compound with spectra: 11 NMR, and 3 MS (GC)

2-Trifluoromethyl-cyclohexanone
SpectraBase Compound ID 47TVykQ2a9O
InChI InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKey RZSQHJQIBOWYSQ-UHFFFAOYSA-N
Mol Weight 166.14 g/mol
Molecular Formula C7H9F3O
Exact Mass 166.060549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13SSNdmVta5
Name 2-TRIFLUOROMETHYL-CYCLOHEXANONE
Compound Number 2A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3O
InChI InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKey RZSQHJQIBOWYSQ-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 166.143 g/mol
Sample ID 61661
Solvent CDCl3