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2-(4-Fluoro-phenyl)-5-hydroxy-5-methyl-4-oxo-cyclohexane-1,3-dicarboxylic acid diisopropyl ester
SpectraBase Compound ID INSUuoE1r75
InChI InChI=1S/C21H27FO6/c1-11(2)27-19(24)15-10-21(5,26)18(23)17(20(25)28-12(3)4)16(15)13-6-8-14(22)9-7-13/h6-9,11-12,15-17,26H,10H2,1-5H3
InChIKey IHNLSGUEYFDDLL-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C21H27FO6
Exact Mass 394.179167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XXkyT0jkbz
Name 2-(4-Fluoro-phenyl)-5-hydroxy-5-methyl-4-oxo-cyclohexane-1,3-dicarboxylic acid diisopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27FO6
InChI InChI=1S/C21H27FO6/c1-11(2)27-19(24)15-10-21(5,26)18(23)17(20(25)28-12(3)4)16(15)13-6-8-14(22)9-7-13/h6-9,11-12,15-17,26H,10H2,1-5H3
InChIKey IHNLSGUEYFDDLL-UHFFFAOYSA-N
Molecular Weight 394.439 g/mol
SMILES OC1(C(C(C(OC(C)C)=O)C(C(C(OC(C)C)=O)C1)c1ccc(cc1)F)=O)C
SPLASH splash10-0006-9550000000-bb434fa69281dd300a17
Synonyms 2-(4-fluorophenyl)-5-hydroxy-4-keto-5-methyl-cyclohexane-1,3-dicarboxylic acid diisopropyl ester 2-(4-fluorophenyl)-5-hydroxy-5-methyl-4-oxocyclohexane-1,3-dicarboxylic acid dipropan-2-yl ester Diisopropyl 2-(4-fluorophenyl)-5-hydroxy-5-methyl-4-oxo-1,3-cyclohexanedicarboxylate diisopropyl 2-(4-fluorophenyl)-5-hydroxy-5-methyl-4-oxo-cyclohexane-1,3-dicarboxylate dipropan-2-yl 2-(4-fluorophenyl)-5-hydroxy-5-methyl-4-oxocyclohexane-1,3-dicarboxylate dipropan-2-yl 2-(4-fluorophenyl)-5-methyl-5-oxidanyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Wiley ID 1447139