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1,3-cyclohexanedicarboxylic acid, 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 25klvx7I1hM
InChI InChI=1S/C23H31FO6/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-9-8-10-14(24)11-13/h8-11,16-18,28H,12H2,1-7H3
InChIKey PFQZJEUDBCQQSR-UHFFFAOYSA-N
Mol Weight 422.49 g/mol
Molecular Formula C23H31FO6
Exact Mass 422.210467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jY1wiAh0nZ
Name 2-(3-fluorophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid ditert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31FO6
InChI InChI=1S/C23H31FO6/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-9-8-10-14(24)11-13/h8-11,16-18,28H,12H2,1-7H3
InChIKey PFQZJEUDBCQQSR-UHFFFAOYSA-N
Molecular Weight 422.493 g/mol
SMILES OC1(C(C(C(C(OC(C)(C)C)=O)C(C1)=O)c1cc(F)ccc1)C(OC(C)(C)C)=O)C
SPLASH splash10-0a4l-9120000000-885405a13552a70d705b
Synonyms Di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate ditert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate ditert-butyl 2-(3-fluorophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid ditert-butyl ester
Wiley ID 1447138