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5-((4'-Fluoro-4,5-dimethylbiphenyl-2-yl)methyl)hex-5-en-2-one
SpectraBase Compound ID JBbJ8TsTuOh
InChI InChI=1S/C21H23FO/c1-14(5-6-17(4)23)11-19-12-15(2)16(3)13-21(19)18-7-9-20(22)10-8-18/h7-10,12-13H,1,5-6,11H2,2-4H3
InChIKey NHWPSOJYWDFOCN-UHFFFAOYSA-N
Mol Weight 310.41 g/mol
Molecular Formula C21H23FO
Exact Mass 310.173294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NOQ7eyNhws
Name 5-((4'-Fluoro-4,5-dimethylbiphenyl-2-yl)methyl)hex-5-en-2-one
Alternate Name(s) 5-((4'-fluoro-4,5-dimethyl-[1,1'-biphenyl]-2-yl)methyl)hex-5-en-2-one 5-[[2-(4-fluorophenyl)-4,5-dimethylphenyl]methyl]-5-hexen-2-one 5-[[2-(4-fluorophenyl)-4,5-dimethylphenyl]methyl]hex-5-en-2-one 5-[[2-(4-fluorophenyl)-4,5-dimethyl-phenyl]methyl]hex-5-en-2-one
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Formula C21H23FO
InChI InChI=1S/C21H23FO/c1-14(5-6-17(4)23)11-19-12-15(2)16(3)13-21(19)18-7-9-20(22)10-8-18/h7-10,12-13H,1,5-6,11H2,2-4H3
InChIKey NHWPSOJYWDFOCN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 310.412 g/mol
SMILES c1(cc(c(cc1C)-c1ccc(cc1)F)CC(CCC(C)=O)=C)C
SPLASH splash10-01p9-0292000000-c4e661fe5b701e1b0eb7
Source of Spectrum J-77-8383-17b
Wiley ID 1745196