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2-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-dimethylcyclo hexane-1,3-dione
SpectraBase Compound ID 9MEdwPHWGaH
InChI InChI=1S/C16H17FO3/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(17)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKey MTJGBZIXKRLQOE-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C16H17FO3
Exact Mass 276.116173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f3n6b2As91
Name 2-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-dimethylcyclo hexane-1,3-dione
Alternate Name(s) 2-(2-(4-fluorophenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione 2-[2-(4-fluorophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione 2-[2-(4-fluorophenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione
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Formula C16H17FO3
InChI InChI=1S/C16H17FO3/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(17)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKey MTJGBZIXKRLQOE-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.c13-00003
Molecular Weight 276.307 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)CC(c1ccc(cc1)F)=O
SPLASH splash10-00di-4920000000-c7cfc56f259fe4fd3897
Source of Spectrum E1-62-21-13c
Wiley ID 1743591