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4,4,5,5,6,6,7,7,7-Nonafluoro-1-(4-propyl-phenyl)-hept-1-yn-3-one
SpectraBase Compound ID 3l2kAvZZUof
InChI InChI=1S/C16H11F9O/c1-2-3-10-4-6-11(7-5-10)8-9-12(26)13(17,18)14(19,20)15(21,22)16(23,24)25/h4-7H,2-3H2,1H3
InChIKey NQBOWJSZHPSELL-UHFFFAOYSA-N
Mol Weight 390.25 g/mol
Molecular Formula C16H11F9O
Exact Mass 390.066618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D4i6UZzLfw
Name 4,4,5,5,6,6,7,7,7-Nonafluoro-1-(4-propyl-phenyl)-hept-1-yn-3-one
Alternate Name(s) n-Perfluorobutyl[4-(n-Propyl)phenyl]acetylenyl Ketone 4,4,5,5,6,6,7,7,7-nonafluoro-1-(4-propylphenyl)-1-heptyn-3-one 4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)-1-(4-propylphenyl)hept-1-yn-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H11F9O
InChI InChI=1S/C16H11F9O/c1-2-3-10-4-6-11(7-5-10)8-9-12(26)13(17,18)14(19,20)15(21,22)16(23,24)25/h4-7H,2-3H2,1H3
InChIKey NQBOWJSZHPSELL-UHFFFAOYSA-N
Molecular Weight 390.249 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(C#Cc1ccc(cc1)CCC)=O)(F)F)(F)F
SPLASH splash10-00di-0901000000-eb234541b93b5607bfbe
Source of Spectrum U1-2010-7016-2k
Wiley ID 1664729