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Ethyl 4-oxo-3,5-bis(trifluoroacetyl)cyclohexanecarboxylate
SpectraBase Compound ID BMkPRB9Kpig
InChI InChI=1S/C13H12F6O5/c1-2-24-11(23)5-3-6(9(21)12(14,15)16)8(20)7(4-5)10(22)13(17,18)19/h5-7H,2-4H2,1H3
InChIKey MEQIRKYEFNDMTF-UHFFFAOYSA-N
Mol Weight 362.22 g/mol
Molecular Formula C13H12F6O5
Exact Mass 362.058892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMnL1dWUOzI
Name Ethyl 4-oxo-3,5-bis(trifluoroacetyl)cyclohexanecarboxylate
Alternate Name(s) 4-Oxo-3,5-bis(2,2,2-trifluoro-1-oxoethyl)-1-cyclohexanecarboxylic acid ethyl ester Ethyl 4-oxo-3,5-bis(2,2,2-trifluoroacetyl)cyclohexane-1-carboxylate Ethyl 4-oxo-3,5-bis(2,2,2-trifluoroacetyl)cyclohexanecarboxylate Ethyl 4-oxidanylidene-3,5-bis[2,2,2-tris(fluoranyl)ethanoyl]cyclohexane-1-carboxylate
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Formula C13H12F6O5
InChI InChI=1S/C13H12F6O5/c1-2-24-11(23)5-3-6(9(21)12(14,15)16)8(20)7(4-5)10(22)13(17,18)19/h5-7H,2-4H2,1H3
InChIKey MEQIRKYEFNDMTF-UHFFFAOYSA-N
Molecular Weight 362.224 g/mol
SMILES C1(C(C(C(C(F)(F)F)=O)CC(C1)C(=O)OCC)=O)C(C(F)(F)F)=O
SPLASH splash10-014i-3096000000-57888aa1076a32e3940f
Source of Spectrum F4-40-1872-5f
Wiley ID 1670783