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(E)-1,1,1,6,6,6-Hexafluoro-2,5-di-p-methoxycarbonylphenyl-2,3,4-hexatriene
SpectraBase Compound ID EbWWYJo2Fvw
InChI InChI=1S/C22H14F6O4/c1-31-19(29)15-7-3-13(4-8-15)17(21(23,24)25)11-12-18(22(26,27)28)14-5-9-16(10-6-14)20(30)32-2/h3-10H,1-2H3/b18-17+
InChIKey GXIHVJAOQNKGLY-ISLYRVAYSA-N
Mol Weight 456.34 g/mol
Molecular Formula C22H14F6O4
Exact Mass 456.079628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXVdE4nfSMj
Name (E)-1,1,1,6,6,6-Hexafluoro-2,5-di-p-methoxycarbonylphenyl-2,3,4-hexatriene
Comments Less than 3 mono-isotopic peaks
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Formula C22H14F6O4
InChI InChI=1S/C22H14F6O4/c1-31-19(29)15-7-3-13(4-8-15)17(21(23,24)25)11-12-18(22(26,27)28)14-5-9-16(10-6-14)20(30)32-2/h3-10H,1-2H3/b18-17+
InChIKey GXIHVJAOQNKGLY-ISLYRVAYSA-N
Molecular Weight 456.340 g/mol
SMILES \C(=C=C=C/(C(F)(F)F)c1ccc(C(=O)OC)cc1)(C(F)(F)F)c1ccc(C(=O)OC)cc1
SPLASH splash10-0a6r-0000900000-b003a51a072d67e8c62e
Source of Spectrum AJ-72-1373-7
Synonyms methyl 4-[5,5,5-trifluoro-4-[4-(methoxycarbonyl)phenyl]-1-(trifluoromethyl)-1,2,3-pentatrienyl]benzoate
Wiley ID 775106