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1-Benzenepentanoic acid, .beta.(1)-(4-chlorophenyl)-4-fluoro-.gamma.(1)-methyl-..alpha..(1)-[(methyloxidanyl)oxidanylidenemethyl]-.delta.(1)-oxo-, methyl ester
SpectraBase Compound ID I6cpY8igNtj
InChI InChI=1S/C21H20ClFO5/c1-12(19(24)14-6-10-16(23)11-7-14)17(13-4-8-15(22)9-5-13)18(20(25)27-2)21(26)28-3/h4-12,17-18H,1-3H3
InChIKey DHEZNKQKDUUNSG-UHFFFAOYSA-N
Mol Weight 406.84 g/mol
Molecular Formula C21H20ClFO5
Exact Mass 406.09833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eyvcb4Vxhp
Name 1-Benzenepentanoic acid, .beta.(1)-(4-chlorophenyl)-4-fluoro-.gamma.(1)-methyl-..alpha..(1)-[(methyloxidanyl)oxidanylidenemethyl]-.delta.(1)-oxo-, methyl ester
Alternate Name(s) 2-[1-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioic acid dimethyl ester Dimethyl 2-[1-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate Dimethyl 2-[1-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxo-propyl]propanedioate Dimethyl 2-[1-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxidanylidene-propyl]propanedioate
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Formula C21H20ClFO5
InChI InChI=1S/C21H20ClFO5/c1-12(19(24)14-6-10-16(23)11-7-14)17(13-4-8-15(22)9-5-13)18(20(25)27-2)21(26)28-3/h4-12,17-18H,1-3H3
InChIKey DHEZNKQKDUUNSG-UHFFFAOYSA-N
Molecular Weight 406.837 g/mol
SMILES C(C(C(C(c1ccc(cc1)F)=O)C)c1ccc(cc1)Cl)(C(=O)OC)C(=O)OC
SPLASH splash10-00di-3920000000-70e6fe5f60cc68186e9f
Source of Spectrum IY-1-4507-2
Wiley ID 1653055