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cis-2,6-Dibromo-2,6-bis(trifluoroacetyl)cyclohexanone
SpectraBase Compound ID 6lAhAWn3NWp
InChI InChI=1S/C10H6Br2F6O3/c11-7(5(20)9(13,14)15)2-1-3-8(12,4(7)19)6(21)10(16,17)18/h1-3H2/t7-,8+
InChIKey MELAIRBTSCHJKW-OCAPTIKFSA-N
Mol Weight 447.95 g/mol
Molecular Formula C10H6Br2F6O3
Exact Mass 445.858789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fqHIKdgzI1
Name cis-2,6-Dibromo-2,6-bis(trifluoroacetyl)cyclohexanone
Alternate Name(s) 1,1'-((1R,3S)-1,3-dibromo-2-oxocyclohexane-1,3-diyl)bis(2,2,2-trifluoroethan-1-one)
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Formula C10H6Br2F6O3
InChI InChI=1S/C10H6Br2F6O3/c11-7(5(20)9(13,14)15)2-1-3-8(12,4(7)19)6(21)10(16,17)18/h1-3H2/t7-,8+
InChIKey MELAIRBTSCHJKW-OCAPTIKFSA-N
Literature Reference DOI 10.1002/hlca.200790043
Molecular Weight 447.953 g/mol
SMILES C1[C@@](C(C(F)(F)F)=O)(C([C@](CC1)(C(=O)C(F)(F)F)Br)=O)Br
SPLASH splash10-014i-6592700000-11df63319709228fb652
Source of Spectrum H-90-377-cis_4a
Wiley ID 1783843