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4-(4,5-Dimethyl-2-methylenehex-4-enyl)-3-(4-fluorophenyl)-cyclohex-3-enone
SpectraBase Compound ID 28Mevt64cEM
InChI InChI=1S/C21H25FO/c1-14(2)16(4)11-15(3)12-18-7-10-20(23)13-21(18)17-5-8-19(22)9-6-17/h5-6,8-9H,3,7,10-13H2,1-2,4H3
InChIKey NHHMETDUAHGFLI-UHFFFAOYSA-N
Mol Weight 312.43 g/mol
Molecular Formula C21H25FO
Exact Mass 312.188944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BraKtn8Lj3N
Name 4-(4,5-Dimethyl-2-methylenehex-4-enyl)-3-(4-fluorophenyl)-cyclohex-3-enone
Alternate Name(s) 6-(4,5-dimethyl-2-methylenehex-4-en-1-yl)-4'-fluoro-4,5-dihydro-[1,1'-biphenyl]-3(2H)-one 4-(4,5-dimethyl-2-methylenehex-4-enyl)-3-(4-fluorophenyl)-1-cyclohex-3-enone 4-(4,5-dimethyl-2-methylidenehex-4-enyl)-3-(4-fluorophenyl)cyclohex-3-en-1-one 4-(4,5-dimethyl-2-methylidene-hex-4-enyl)-3-(4-fluorophenyl)cyclohex-3-en-1-one
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Formula C21H25FO
InChI InChI=1S/C21H25FO/c1-14(2)16(4)11-15(3)12-18-7-10-20(23)13-21(18)17-5-8-19(22)9-6-17/h5-6,8-9H,3,7,10-13H2,1-2,4H3
InChIKey NHHMETDUAHGFLI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 312.428 g/mol
SMILES C1CC(CC(CC(=C(C)C)C)=C)=C(c2ccc(cc2)F)CC1=O
SPLASH splash10-0ap1-1951000000-6d71b1739d2a44e8d4d9
Source of Spectrum J-77-8384-17c
Wiley ID 1745197