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2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid, 2-bromo-4,5,5-trifluoro-4-trifluoromethylcyclohexyl ester
SpectraBase Compound ID FoCMX0ubdrK
InChI InChI=1S/C12H6BrF15O2/c13-3-1-6(14,11(23,24)25)7(15,16)2-4(3)30-5(29)8(17,18)9(19,20)10(21,22)12(26,27)28/h3-4H,1-2H2
InChIKey PNYBFZXIBVSKMY-UHFFFAOYSA-N
Mol Weight 547.06 g/mol
Molecular Formula C12H6BrF15O2
Exact Mass 545.931165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgqnUtKfR38
Name 2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid, 2-bromo-4,5,5-trifluoro-4-trifluoromethylcyclohexyl ester
Alternate Name(s) 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid [2-bromo-4,5,5-trifluoro-4-(trifluoromethyl)cyclohexyl] ester [2-bromo-4,5,5-trifluoro-4-(trifluoromethyl)cyclohexyl] 2,2,3,3,4,4,5,5,5-nonafluoropentanoate [2-bromanyl-4,5,5-tris(fluoranyl)-4-(trifluoromethyl)cyclohexyl] 2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanoate
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Formula C12H6BrF15O2
InChI InChI=1S/C12H6BrF15O2/c13-3-1-6(14,11(23,24)25)7(15,16)2-4(3)30-5(29)8(17,18)9(19,20)10(21,22)12(26,27)28/h3-4H,1-2H2
InChIKey PNYBFZXIBVSKMY-UHFFFAOYSA-N
Molecular Weight 547.058 g/mol
SMILES C1(CC(C(C(F)(F)F)(F)CC1Br)(F)F)OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-014i-9530000000-dcf50ddd1967f585b7ec
Wiley ID 1456831