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4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzoic acid ethyl ester
SpectraBase Compound ID TlZidfgVfu
InChI InChI=1S/C12H9F5O2/c1-2-19-11(18)8-5-3-7(4-6-8)9(10(13)14)12(15,16)17/h3-6H,2H2,1H3
InChIKey QSZDENOHSYWJSK-UHFFFAOYSA-N
Mol Weight 280.19 g/mol
Molecular Formula C12H9F5O2
Exact Mass 280.05227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bc48dU3XDWC
Name 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzoic acid ethyl ester
Alternate Name(s) 4-[2,2-difluoro-1-(trifluoromethyl)vinyl]benzoic acid ethyl ester Ethyl 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzoate Ethyl 4-[1,1,3,3,3-pentakis(fluoranyl)prop-1-en-2-yl]benzoate Ethyl 4-[2,2-difluoro-1-(trifluoromethyl)vinyl]benzoate
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Formula C12H9F5O2
InChI InChI=1S/C12H9F5O2/c1-2-19-11(18)8-5-3-7(4-6-8)9(10(13)14)12(15,16)17/h3-6H,2H2,1H3
InChIKey QSZDENOHSYWJSK-UHFFFAOYSA-N
Molecular Weight 280.194 g/mol
SMILES C(C(F)(F)F)(=C(F)F)c1ccc(C(=O)OCC)cc1
SPLASH splash10-000i-0490000000-edb4958e17d46d8e7518
Source of Spectrum J-58-1172-18
Wiley ID 1283439