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(1S,2R,4R)-4-(4-chlorophenyl)-2-(2,2-dichlorovinyl)-4-hydroxy-6-keto-cyclohexane-1-carboxylic acid ethyl ester
SpectraBase Compound ID KRNt48wTS5A
InChI InChI=1S/C17H17Cl3O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1
InChIKey FXFWTIFVGBUKKB-TYFHEEPYSA-N
Mol Weight 391.68 g/mol
Molecular Formula C17H17Cl3O4
Exact Mass 390.019242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iwlxnI6fAB
Name (1S,2R,4R)-4-(4-chlorophenyl)-2-(2,2-dichlorovinyl)-4-hydroxy-6-keto-cyclohexane-1-carboxylic acid ethyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17Cl3O4
InChI InChI=1S/C17H17Cl3O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1
InChIKey FXFWTIFVGBUKKB-TYFHEEPYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 391.679 g/mol
Source File Reference MHKO25378