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4-Oxo-3,5-bis(trifluoroacetyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 9jAyIUxO9HR
InChI InChI=1S/C11H8F6O5/c12-10(13,14)7(19)4-1-3(9(21)22)2-5(6(4)18)8(20)11(15,16)17/h3-5H,1-2H2,(H,21,22)
InChIKey NRNKOOCXZKZKPK-UHFFFAOYSA-N
Mol Weight 334.17 g/mol
Molecular Formula C11H8F6O5
Exact Mass 334.027592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ln9zx8azQ
Name 4-Oxo-3,5-bis(trifluoroacetyl)cyclohexanecarboxylic acid
Alternate Name(s) 4-Oxo-3,5-bis(2,2,2-trifluoro-1-oxoethyl)-1-cyclohexanecarboxylic acid 4-Oxo-3,5-bis(2,2,2-trifluoroacetyl)cyclohexane-1-carboxylic acid 4-Oxo-3,5-bis(2,2,2-trifluoroacetyl)cyclohexanecarboxylic acid 4-Oxidanylidene-3,5-bis[2,2,2-tris(fluoranyl)ethanoyl]cyclohexane-1-carboxylic acid
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Formula C11H8F6O5
InChI InChI=1S/C11H8F6O5/c12-10(13,14)7(19)4-1-3(9(21)22)2-5(6(4)18)8(20)11(15,16)17/h3-5H,1-2H2,(H,21,22)
InChIKey NRNKOOCXZKZKPK-UHFFFAOYSA-N
Molecular Weight 334.170 g/mol
SMILES OC(C1CC(C(C(C(C(F)(F)F)=O)C1)=O)C(C(F)(F)F)=O)=O
SPLASH splash10-015c-0589000000-2c6a7c904935e677639e
Source of Spectrum F4-40-1873-5g
Wiley ID 1670781