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4-(TERT.-BUTYL)-2-TRIFLUOROMETHYL-CYCLOHEXANONE;MAJOR-ISOMER

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4-(TERT.-BUTYL)-2-TRIFLUOROMETHYL-CYCLOHEXANONE;MAJOR-ISOMER
SpectraBase Compound ID E0kvT1abLph
InChI InChI=1S/C11H17F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKey GESGAVKCQTXSBR-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C11H17F3O
Exact Mass 222.12315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1Wnna43aDl
Name 4-(TERT.-BUTYL)-2-TRIFLUOROMETHYL-CYCLOHEXANONE;MAJOR-ISOMER
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H17F3O
InChI InChI=1S/C11H17F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKey GESGAVKCQTXSBR-UHFFFAOYSA-N
Literature Reference Author Y.ITOH,K.MIKAMI
Literature Reference Citation ORG.LETTERS,7,4883(2005)
Literature Reference DOI 10.1021/ol0517574
Molecular Weight 222.251 g/mol
Sample ID 41919
Solvent CDCl3