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1,1,1,3,6-Pentafluoro-2-(3-methylphenyl)hepta-2E,4E-diene
SpectraBase Compound ID 9HLTggfEPux
InChI InChI=1S/C14H13F5/c1-9-4-3-5-11(8-9)13(14(17,18)19)12(16)7-6-10(2)15/h3-8,10H,1-2H3/b7-6+,13-12+
InChIKey NKDCNBGVDPHQAE-GYIPPJPDSA-N
Mol Weight 276.25 g/mol
Molecular Formula C14H13F5
Exact Mass 276.093741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gk9HOdYeNe
Name 1,1,1,3,6-Pentafluoro-2-(3-methylphenyl)hepta-2E,4E-diene
Alternate Name(s) 1-[(1E,3E)-2,5-difluoro-1-(trifluoromethyl)-1,3-hexadienyl]-3-methylbenzene
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Formula C14H13F5
InChI InChI=1S/C14H13F5/c1-9-4-3-5-11(8-9)13(14(17,18)19)12(16)7-6-10(2)15/h3-8,10H,1-2H3/b7-6+,13-12+
InChIKey NKDCNBGVDPHQAE-GYIPPJPDSA-N
Molecular Weight 276.250 g/mol
SMILES C(\C(c1cc(C)ccc1)=C/(\C=C\C(F)C)F)(F)(F)F
SPLASH splash10-056r-0190000000-219b9c0dba2065189827
Source of Spectrum CV-2004-1002-7
Wiley ID 1611286