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2-Trifluoromethyl-cyclohexanone

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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 D4ebVLPIDuT
Name 2-TRIFLUOROMETHYL-CYCLOHEXANONE
Compound Number 3A
Copyright Copyright © 2016-2024 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 Y.ITOH,K.MIKAMI
Literature Reference Citation ORG.LETTERS,7,649(2005)
Literature Reference DOI 10.1021/ol047565a
Molecular Weight 166.143 g/mol
Sample ID 42150
Solvent CDCl3