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3-Ethenyl-2-(2,2,2-trifluoro-1-oxoethyl)hexanoic acid ethyl ester
SpectraBase Compound ID 71LEpMW3SAM
InChI InChI=1S/C12H17F3O3/c1-4-7-8(5-2)9(11(17)18-6-3)10(16)12(13,14)15/h5,8-9H,2,4,6-7H2,1,3H3
InChIKey GPAHLDLCIIANGZ-UHFFFAOYSA-N
Mol Weight 266.26 g/mol
Molecular Formula C12H17F3O3
Exact Mass 266.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlX79U5bPCN
Name 3-Ethenyl-2-(2,2,2-trifluoro-1-oxoethyl)hexanoic acid ethyl ester
Alternate Name(s) 3-Propyl-2-(2,2,2-trifluoroacetyl)pent-4-enoic acid ethyl ester Ethyl 2-(2,2,2-trifluoroacetyl)-3-vinyl-hexanoate Ethyl 3-ethenyl-2-(2,2,2-trifluoroacetyl)hexanoate Ethyl 3-ethenyl-2-[2,2,2-tris(fluoranyl)ethanoyl]hexanoate
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Formula C12H17F3O3
InChI InChI=1S/C12H17F3O3/c1-4-7-8(5-2)9(11(17)18-6-3)10(16)12(13,14)15/h5,8-9H,2,4,6-7H2,1,3H3
InChIKey GPAHLDLCIIANGZ-UHFFFAOYSA-N
Molecular Weight 266.260 g/mol
SMILES C(C(C(F)(F)F)=O)(C(=O)OCC)C(C=C)CCC
SPLASH splash10-00lu-5930000000-949654d879958dc5365b
Source of Spectrum J-62-4175-3
Wiley ID 544276