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cis/trans-2,6-Dichloro-2,6-bis(trifluoroacetyl)cyclohexanone
SpectraBase Compound ID JMPA0LZ4BPf
InChI InChI=1S/C10H6Cl2F6O3/c11-7(5(20)9(13,14)15)2-1-3-8(12,4(7)19)6(21)10(16,17)18/h1-3H2
InChIKey NOJNWQHOOKAVNK-UHFFFAOYSA-N
Mol Weight 359.05 g/mol
Molecular Formula C10H6Cl2F6O3
Exact Mass 357.959818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JAVG9v2HAk
Name cis/trans-2,6-Dichloro-2,6-bis(trifluoroacetyl)cyclohexanone
Alternate Name(s) 1,1'-(1,3-dichloro-2-oxocyclohexane-1,3-diyl)bis(2,2,2-trifluoroethan-1-one)
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Formula C10H6Cl2F6O3
InChI InChI=1S/C10H6Cl2F6O3/c11-7(5(20)9(13,14)15)2-1-3-8(12,4(7)19)6(21)10(16,17)18/h1-3H2
InChIKey NOJNWQHOOKAVNK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200790043
Molecular Weight 359.051 g/mol
SMILES C1C(C(C(F)(F)F)=O)(C(C(CC1)(C(=O)C(F)(F)F)Cl)=O)Cl
SPLASH splash10-014i-3920000000-e56480384c5fba1af918
Source of Spectrum H-90-378-cis/trans_4b
Wiley ID 1783844